2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid

C16H15NO3S — CID 17204466

IUPAC2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
SMILESCCSc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3S/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyFVUXWWOTQHCNPG-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.75
Rot. Bonds5

About 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid

2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid (PubChem CID 17204466) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
PubChem CID17204466
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
SMILESCCSc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3S/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyFVUXWWOTQHCNPG-UHFFFAOYSA-N
XLogP3.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 8795745
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
CID 158896086
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-[[2-(heptan-4-ylamino)benzoyl]amino]benzoic acid
CID 139801207
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid (CID 17204466) is 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid is CCSc1ccccc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid?
The InChIKey is FVUXWWOTQHCNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid?
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid has a molecular weight of 301.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 17204466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).