3-[(4-methylsulfanylbenzoyl)amino]benzoic acid

C15H13NO3S — CID 43238382

IUPAC3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
SMILESCSc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO3S/c1-20-13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(9-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyWXBXIJAVQRHBAN-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.36
Rot. Bonds4

About 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid

3-[(4-methylsulfanylbenzoyl)amino]benzoic acid (PubChem CID 43238382) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
PubChem CID43238382
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
SMILESCSc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO3S/c1-20-13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(9-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyWXBXIJAVQRHBAN-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
3-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzoic acid
CID 18949195
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
CID 78875489
2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43353119
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid (CID 43238382) is 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid is CSc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
The InChIKey is WXBXIJAVQRHBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-20-13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(9-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid has a molecular weight of 287.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfanylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 43238382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).