5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide

C14H12FNO2S — CID 18089885

IUPAC5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)s1
InChIInChI=1S/C14H12FNO2S/c1-8-7-10(15)3-4-11(8)16-14(18)13-6-5-12(19-13)9(2)17/h3-7H,1-2H3,(H,16,18)
InChIKeyBPFRKMDMVKTCKF-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.65
Rot. Bonds3

About 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide

5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 18089885) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
PubChem CID18089885
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)s1
InChIInChI=1S/C14H12FNO2S/c1-8-7-10(15)3-4-11(8)16-14(18)13-6-5-12(19-13)9(2)17/h3-7H,1-2H3,(H,16,18)
InChIKeyBPFRKMDMVKTCKF-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
5-acetamido-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 24608441
N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 150699383
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (CID 18089885) is 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C)s1.
What is the InChIKey of 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is BPFRKMDMVKTCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-8-7-10(15)3-4-11(8)16-14(18)13-6-5-12(19-13)9(2)17/h3-7H,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18089885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).