4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide

C16H16ClNO2S — CID 46652279

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H16ClNO2S/c1-11(12-5-3-2-4-6-12)18-16(20)10-7-13(19)14-8-9-15(17)21-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,20)
InChIKeyXDRQFDVWROXYCO-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.24
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide

4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide (PubChem CID 46652279) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
PubChem CID46652279
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H16ClNO2S/c1-11(12-5-3-2-4-6-12)18-16(20)10-7-13(19)14-8-9-15(17)21-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,20)
InChIKeyXDRQFDVWROXYCO-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide
CID 51193161
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
4-(5-chlorothiophen-2-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide
CID 46653852
methyl (2S)-2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 2576698
4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336
4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide
CID 18128072
2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide
CID 86976250
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523750
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide (CID 46652279) is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide is CC(NC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide?
The InChIKey is XDRQFDVWROXYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(12-5-3-2-4-6-12)18-16(20)10-7-13(19)14-8-9-15(17)21-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,20).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide?
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide has a molecular weight of 321.83 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 46652279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).