methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate

C16H15NO3S — CID 2676410

IUPACmethyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H15NO3S/c1-20-16(19)11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)21-2/h3-10H,1-2H3,(H,17,18)
InChIKeyHHVBWWOZBLHJTD-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.45
Rot. Bonds4

About methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate

methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate (PubChem CID 2676410) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
PubChem CID2676410
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Namemethyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H15NO3S/c1-20-16(19)11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)21-2/h3-10H,1-2H3,(H,17,18)
InChIKeyHHVBWWOZBLHJTD-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

2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 43422875
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate (CID 2676410) is methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccccc2SC)c1.
What is the InChIKey of methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate?
The InChIKey is HHVBWWOZBLHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-16(19)11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)21-2/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate?
methyl 3-[(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 3-[(2-methylsulfanylbenzoyl)amino]benzoate is sourced from PubChem (CID 2676410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).