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

C15H14ClNO2S — CID 17390892

IUPACN-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO2S/c16-12-5-2-1-4-11(12)10-17-15(19)8-7-13(18)14-6-3-9-20-14/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyZNUJXWOCOTUULF-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.68
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 17390892) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID17390892
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO2S/c16-12-5-2-1-4-11(12)10-17-15(19)8-7-13(18)14-6-3-9-20-14/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyZNUJXWOCOTUULF-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
CID 2805179
Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
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
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 17390892) is N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is ZNUJXWOCOTUULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-5-2-1-4-11(12)10-17-15(19)8-7-13(18)14-6-3-9-20-14/h1-6,9H,7-8,10H2,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[(2-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-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 17390892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).