2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid

C16H15NO3S — CID 60831323

IUPAC2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
SMILESCSc1ccc(C(=O)N(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-21-14-9-7-12(8-10-14)16(20)17(11-15(18)19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyADVKESQXSPPYDW-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.14
Rot. Bonds5

About 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid

2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid (PubChem CID 60831323) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
PubChem CID60831323
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
SMILESCSc1ccc(C(=O)N(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-21-14-9-7-12(8-10-14)16(20)17(11-15(18)19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyADVKESQXSPPYDW-UHFFFAOYSA-N
XLogP3.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
CID 66463836
4-(dimethylamino)-N-phenacyl-N-phenylbenzamide
CID 5073798
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
2-(N-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 67858378
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid (CID 60831323) is 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid is CSc1ccc(C(=O)N(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid?
The InChIKey is ADVKESQXSPPYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-21-14-9-7-12(8-10-14)16(20)17(11-15(18)19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid?
2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid has a molecular weight of 301.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid is sourced from PubChem (CID 60831323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).