methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate

C16H15NO3S — CID 967699

IUPACmethyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H15NO3S/c1-20-16(19)11-7-3-5-9-13(11)17-15(18)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3,(H,17,18)
InChIKeyCEXFGIRFUWCVFO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.45
Rot. Bonds4

About methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate

methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate (PubChem CID 967699) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate
PubChem CID967699
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Namemethyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H15NO3S/c1-20-16(19)11-7-3-5-9-13(11)17-15(18)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3,(H,17,18)
InChIKeyCEXFGIRFUWCVFO-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl n-acetylanthranilate
CID 17623
N-Benzoylanthranilate
CID 5091716
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
Anthranilic acid, N-(p-((difluoromethyl)thio)phenyl)-
CID 2060602
Methyl 2-benzamidobenzoate
CID 347181
Benzoic acid, 2-[(1-oxopropyl)amino]-, methyl ester
CID 117564
Methyl 3-{[(benzylsulfanyl)acetyl]amino}benzoate
CID 685912
2-({[(4-Methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
CID 976396

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate (CID 967699) is methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccccc1SC.
What is the InChIKey of methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate?
The InChIKey is CEXFGIRFUWCVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-16(19)11-7-3-5-9-13(11)17-15(18)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate?
methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate has a molecular weight of 301.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylsulfanylbenzoyl)amino]benzoate is sourced from PubChem (CID 967699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).