N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide

C15H15NO2S — CID 954394

IUPACN-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO2S/c1-11-4-6-12(7-5-11)16-15(18)9-8-13(17)14-3-2-10-19-14/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyRVNMNHHXTLLHEV-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.66
Rot. Bonds5

About N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 954394) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID954394
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO2S/c1-11-4-6-12(7-5-11)16-15(18)9-8-13(17)14-3-2-10-19-14/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyRVNMNHHXTLLHEV-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799576
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389
N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807727
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 954394) is N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is RVNMNHHXTLLHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-4-6-12(7-5-11)16-15(18)9-8-13(17)14-3-2-10-19-14/h2-7,10H,8-9H2,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 273.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 954394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).