3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid

C13H11NO3S2 — CID 43358110

IUPAC3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCSc1ccc(C(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C13H11NO3S2/c1-18-9-4-2-8(3-5-9)12(15)14-10-6-7-19-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyCNEIVYHANLHZTD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.42
Rot. Bonds4

About 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid

3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 43358110) has the molecular formula C13H11NO3S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID43358110
Molecular FormulaC13H11NO3S2
Molecular Weight293.37 g/mol
Exact Mass293.02
IUPAC Name3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCSc1ccc(C(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C13H11NO3S2/c1-18-9-4-2-8(3-5-9)12(15)14-10-6-7-19-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyCNEIVYHANLHZTD-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 16782205
3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 107948948
3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 6987136
N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913883
3-[(3,4-diethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16776584
2-[2-[(4-methylsulfanylbenzoyl)amino]phenyl]acetic acid
CID 62536865
3-[(3-hydroxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16773315
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
CID 43171735
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171778
3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16774257
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid (CID 43358110) is 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid is CSc1ccc(C(=O)Nc2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is CNEIVYHANLHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S2/c1-18-9-4-2-8(3-5-9)12(15)14-10-6-7-19-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid?
3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43358110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).