3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

C18H19N3O2S — CID 30335288

IUPAC3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESN#Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C18H19N3O2S/c19-12-14-3-1-4-15(11-14)18(22)20-13-16(17-5-2-10-24-17)21-6-8-23-9-7-21/h1-5,10-11,16H,6-9,13H2,(H,20,22)/t16-/m0/s1
InChIKeyNIAKYYHYAYHBAR-INIZCTEOSA-N
MW341.44 g/mol
LogP2.42
Rot. Bonds5

About 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 30335288) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID30335288
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESN#Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C18H19N3O2S/c19-12-14-3-1-4-15(11-14)18(22)20-13-16(17-5-2-10-24-17)21-6-8-23-9-7-21/h1-5,10-11,16H,6-9,13H2,(H,20,22)/t16-/m0/s1
InChIKeyNIAKYYHYAYHBAR-INIZCTEOSA-N
XLogP2.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959
3-acetamido-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150838
3-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 4501315
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 122264606
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
3-(benzylsulfamoyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2315122
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (CID 30335288) is 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is N#Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is NIAKYYHYAYHBAR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-12-14-3-1-4-15(11-14)18(22)20-13-16(17-5-2-10-24-17)21-6-8-23-9-7-21/h1-5,10-11,16H,6-9,13H2,(H,20,22)/t16-/m0/s1.
What are the key properties of 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 341.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 30335288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).