4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C18H19N3O2S — CID 17405365

IUPAC4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O2S/c19-12-14-3-5-15(6-4-14)18(22)20-13-16(17-2-1-11-24-17)21-7-9-23-10-8-21/h1-6,11,16H,7-10,13H2,(H,20,22)
InChIKeyZWMNXFUUBLPKEY-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.42
Rot. Bonds5

About 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 17405365) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID17405365
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O2S/c19-12-14-3-5-15(6-4-14)18(22)20-13-16(17-2-1-11-24-17)21-7-9-23-10-8-21/h1-6,11,16H,7-10,13H2,(H,20,22)
InChIKeyZWMNXFUUBLPKEY-UHFFFAOYSA-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

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Related Compounds

3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335288
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 29341374
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 31334942
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959
4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 31404253
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 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 17405365) is 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is N#Cc1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is ZWMNXFUUBLPKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-12-14-3-5-15(6-4-14)18(22)20-13-16(17-2-1-11-24-17)21-7-9-23-10-8-21/h1-6,11,16H,7-10,13H2,(H,20,22).
What are the key properties of 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
4-cyano-N-(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 4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17405365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).