4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide

C15H15ClN2O2S — CID 51193161

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide
SMILESCC(NC(=O)CCC(=O)c1ccc(Cl)s1)c1cccnc1
InChIInChI=1S/C15H15ClN2O2S/c1-10(11-3-2-8-17-9-11)18-15(20)7-4-12(19)13-5-6-14(16)21-13/h2-3,5-6,8-10H,4,7H2,1H3,(H,18,20)
InChIKeyPVXLXAHBKWJOLY-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.64
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide

4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide (PubChem CID 51193161) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide
PubChem CID51193161
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide
SMILESCC(NC(=O)CCC(=O)c1ccc(Cl)s1)c1cccnc1
InChIInChI=1S/C15H15ClN2O2S/c1-10(11-3-2-8-17-9-11)18-15(20)7-4-12(19)13-5-6-14(16)21-13/h2-3,5-6,8-10H,4,7H2,1H3,(H,18,20)
InChIKeyPVXLXAHBKWJOLY-UHFFFAOYSA-N
XLogP3.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428
4-(5-chlorothiophen-2-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide
CID 46653852
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95130191
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide (CID 51193161) is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide is CC(NC(=O)CCC(=O)c1ccc(Cl)s1)c1cccnc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide?
The InChIKey is PVXLXAHBKWJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10(11-3-2-8-17-9-11)18-15(20)7-4-12(19)13-5-6-14(16)21-13/h2-3,5-6,8-10H,4,7H2,1H3,(H,18,20).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide?
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide has a molecular weight of 322.82 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 51193161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).