N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide

C16H17NO2S — CID 9342786

IUPACN-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-5-6-13(12(2)10-11)17-16(19)8-7-14(18)15-4-3-9-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyAGYKQGHUTZLSLF-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.97
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 9342786) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID9342786
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-5-6-13(12(2)10-11)17-16(19)8-7-14(18)15-4-3-9-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyAGYKQGHUTZLSLF-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
CID 27782894
N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 23249669
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N-(2,4-dimethylphenyl)-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 7979282
4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 2379110
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
[2-(2-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-dithiophen-2-ylprop-2-enoate
CID 5036389
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 9342786) is N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is AGYKQGHUTZLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-5-6-13(12(2)10-11)17-16(19)8-7-14(18)15-4-3-9-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 287.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 9342786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).