5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid

C13H9F2NO3S — CID 103587004

IUPAC5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(F)c(NC(=O)c2ccc(C(=O)O)s2)cc1F
InChIInChI=1S/C13H9F2NO3S/c1-6-4-8(15)9(5-7(6)14)16-12(17)10-2-3-11(20-10)13(18)19/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyVZOWXTGAKVVJAD-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.29
Rot. Bonds3

About 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid

5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 103587004) has the molecular formula C13H9F2NO3S and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID103587004
Molecular FormulaC13H9F2NO3S
Molecular Weight297.28 g/mol
Exact Mass297.03
IUPAC Name5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(F)c(NC(=O)c2ccc(C(=O)O)s2)cc1F
InChIInChI=1S/C13H9F2NO3S/c1-6-4-8(15)9(5-7(6)14)16-12(17)10-2-3-11(20-10)13(18)19/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyVZOWXTGAKVVJAD-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2,4-difluorophenyl)carbamoyl]thiophene-2-carboxylic acid
CID 102854653
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate
CID 59140505
N-(2,5-difluoro-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107704386
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106854464
5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 18089885
4-[(2,5-difluoro-4-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103586416
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid (CID 103587004) is 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid is Cc1cc(F)c(NC(=O)c2ccc(C(=O)O)s2)cc1F.
What is the InChIKey of 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is VZOWXTGAKVVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3S/c1-6-4-8(15)9(5-7(6)14)16-12(17)10-2-3-11(20-10)13(18)19/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103587004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).