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

C15H15NO3S — CID 114914554

IUPAC3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)cc(C(=O)Nc2c(C)csc2C(=O)O)c1
InChIInChI=1S/C15H15NO3S/c1-8-4-9(2)6-11(5-8)14(17)16-12-10(3)7-20-13(12)15(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyGNSDHROXMOVDEJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.62
Rot. Bonds3

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

3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914554) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914554
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)cc(C(=O)Nc2c(C)csc2C(=O)O)c1
InChIInChI=1S/C15H15NO3S/c1-8-4-9(2)6-11(5-8)14(17)16-12-10(3)7-20-13(12)15(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyGNSDHROXMOVDEJ-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

3-[(3-fluoro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914898
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 114915122
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
methyl 3-[(3-chloro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916201
4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914626
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
4-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114915095
3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914998
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774
4-methyl-3-[(3-methyl-2-propan-2-ylbutanoyl)amino]thiophene-2-carboxylic acid
CID 114282186

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid (CID 114914554) is 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid is Cc1cc(C)cc(C(=O)Nc2c(C)csc2C(=O)O)c1.
What is the InChIKey of 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is GNSDHROXMOVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-8-4-9(2)6-11(5-8)14(17)16-12-10(3)7-20-13(12)15(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-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 3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).