5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid

C15H15NO3S2 — CID 63616313

IUPAC5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCSc1ccc(C)c(C(=O)Nc2sc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO3S2/c1-8-4-5-10(20-3)7-11(8)13(17)16-14-12(15(18)19)6-9(2)21-14/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyLVOCUHROTOEKKL-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.04
Rot. Bonds4

About 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid

5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 63616313) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID63616313
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCSc1ccc(C)c(C(=O)Nc2sc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO3S2/c1-8-4-5-10(20-3)7-11(8)13(17)16-14-12(15(18)19)6-9(2)21-14/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyLVOCUHROTOEKKL-UHFFFAOYSA-N
XLogP4.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045
2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63652866
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107986673
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
2-[(2,5-dibromobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 114368033
5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615336
5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 63615838
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid (CID 63616313) is 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid is CSc1ccc(C)c(C(=O)Nc2sc(C)cc2C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is LVOCUHROTOEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-8-4-5-10(20-3)7-11(8)13(17)16-14-12(15(18)19)6-9(2)21-14/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63616313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).