2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid

C15H15NO3S — CID 28858667

IUPAC2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H15NO3S/c1-8-4-5-11(6-9(8)2)13(17)16-14-12(15(18)19)7-10(3)20-14/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyFVRICMJKLVYTRF-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.62
Rot. Bonds3

About 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid

2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 28858667) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID28858667
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H15NO3S/c1-8-4-5-11(6-9(8)2)13(17)16-14-12(15(18)19)7-10(3)20-14/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyFVRICMJKLVYTRF-UHFFFAOYSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616000
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 55248378
5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 63615838
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997
5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616313
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615336
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 28858667) is 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2ccc(C)c(C)c2)s1.
What is the InChIKey of 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is FVRICMJKLVYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-8-4-5-11(6-9(8)2)13(17)16-14-12(15(18)19)7-10(3)20-14/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 28858667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).