methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate

C16H15NO3S — CID 1243177

IUPACmethyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C16H15NO3S/c1-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-2/h3-10H,1-2H3,(H,17,18)
InChIKeyVRJWRTHGIKRNHN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.45
Rot. Bonds4

About methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate

methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate (PubChem CID 1243177) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate
PubChem CID1243177
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Namemethyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C16H15NO3S/c1-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-2/h3-10H,1-2H3,(H,17,18)
InChIKeyVRJWRTHGIKRNHN-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

Analyze methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate (CID 1243177) is methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2SC)cc1.
What is the InChIKey of methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate?
The InChIKey is VRJWRTHGIKRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-2/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 4-[(2-methylsulfanylbenzoyl)amino]benzoate?
methyl 4-[(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 4-[(2-methylsulfanylbenzoyl)amino]benzoate is sourced from PubChem (CID 1243177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).