5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid

C15H15NO3S2 — CID 63615838

IUPAC5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
SMILESCSCc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3S2/c1-9-7-12(15(18)19)14(21-9)16-13(17)11-5-3-10(4-6-11)8-20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFZJBZWFNDPURLZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.87
Rot. Bonds5

About 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid

5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63615838) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
PubChem CID63615838
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
SMILESCSCc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3S2/c1-9-7-12(15(18)19)14(21-9)16-13(17)11-5-3-10(4-6-11)8-20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFZJBZWFNDPURLZ-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 55248378
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-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616000
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid (CID 63615838) is 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid is CSCc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1.
What is the InChIKey of 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is FZJBZWFNDPURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-9-7-12(15(18)19)14(21-9)16-13(17)11-5-3-10(4-6-11)8-20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid?
5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63615838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).