N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide

C15H14ClNO2S — CID 2379413

IUPACN-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-12-5-3-11(4-6-12)10-17-15(19)8-7-13(18)14-2-1-9-20-14/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyFTBHZWSANDYEBT-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.68
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 2379413) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID2379413
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-12-5-3-11(4-6-12)10-17-15(19)8-7-13(18)14-2-1-9-20-14/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyFTBHZWSANDYEBT-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene derivative, 3b
CID 25023796
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
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CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
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N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
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CID 1245406
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2,4-dichloro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenecarboxamide
CID 4266221
[1-(4-Chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea
CID 4847733
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 2379413) is N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is FTBHZWSANDYEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-5-3-11(4-6-12)10-17-15(19)8-7-13(18)14-2-1-9-20-14/h1-6,9H,7-8,10H2,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 307.80 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2379413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).