N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide

C17H19NO2S — CID 110660152

IUPACN-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(C)c(C)s2)cc1
InChIInChI=1S/C17H19NO2S/c1-11-4-6-14(7-5-11)15(19)8-9-16(20)18-17-10-12(2)13(3)21-17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyOXDDYXADKUMELL-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.27
Rot. Bonds5

About N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide

N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 110660152) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID110660152
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(C)c(C)s2)cc1
InChIInChI=1S/C17H19NO2S/c1-11-4-6-14(7-5-11)15(19)8-9-16(20)18-17-10-12(2)13(3)21-17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyOXDDYXADKUMELL-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
ethyl 3-methyl-5-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55465194
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide
CID 110660107
N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 5003132
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide (CID 110660152) is N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cc(C)c(C)s2)cc1.
What is the InChIKey of N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is OXDDYXADKUMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-4-6-14(7-5-11)15(19)8-9-16(20)18-17-10-12(2)13(3)21-17/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 301.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110660152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).