ISDA: 3WKD

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: S0K

IUPAC Name: N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(Nc1ccccc1N1CCOCC1)c1ccsc1

InChI: InChI=1S/C15H16N2O2S/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17/h1-5,10-11H,6-9H2,(H,16,18)

InChI Key: SULRJGWRXWPTDW-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C15 H16 N2 O2 S

Molecular weight: 288.365

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 20

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
OpenEye OEToolkits	1.7.6	N-(2-morpholin-4-ylphenyl)thiophene-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1N2CCOCC2)c3ccsc3
InChI	InChI	1.03	InChI=1S/C15H16N2O2S/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17/h1-5,10-11H,6-9H2,(H,16,18)
InChIKey	InChI	1.03	SULRJGWRXWPTDW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1ccccc1N2CCOCC2)c3cscc3
SMILES	CACTVS	3.385	O=C(Nc1ccccc1N2CCOCC2)c3cscc3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3

Chemical Database Mapping

Database	Reference ID
PubChem	2813415
ZINC	ZINC000000153993