4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide

C16H16ClNO2S — CID 110676338

IUPAC4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCC(=O)c1cccc(Cl)c1)NCCc1cccs1
InChIInChI=1S/C16H16ClNO2S/c17-13-4-1-3-12(11-13)15(19)6-7-16(20)18-9-8-14-5-2-10-21-14/h1-5,10-11H,6-9H2,(H,18,20)
InChIKeyQZFVXCUBFDLSPB-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.72
Rot. Bonds7

About 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide

4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 110676338) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID110676338
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCC(=O)c1cccc(Cl)c1)NCCc1cccs1
InChIInChI=1S/C16H16ClNO2S/c17-13-4-1-3-12(11-13)15(19)6-7-16(20)18-9-8-14-5-2-10-21-14/h1-5,10-11H,6-9H2,(H,18,20)
InChIKeyQZFVXCUBFDLSPB-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide
CID 17449159
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
3-acetamido-3-(3-chlorophenyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110676801
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide
CID 110427133

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide (CID 110676338) is 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide is O=C(CCC(=O)c1cccc(Cl)c1)NCCc1cccs1.
What is the InChIKey of 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is QZFVXCUBFDLSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-13-4-1-3-12(11-13)15(19)6-7-16(20)18-9-8-14-5-2-10-21-14/h1-5,10-11H,6-9H2,(H,18,20).
What are the key properties of 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide?
4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 321.83 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 110676338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).