methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate

C16H15NO3S — CID 10638032

IUPACmethyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
SMILESCNC(=O)c1ccccc1Sc1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H15NO3S/c1-17-15(18)13-5-3-4-6-14(13)21-12-9-7-11(8-10-12)16(19)20-2/h3-10H,1-2H3,(H,17,18)
InChIKeyYXULEXJHWSYZLI-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.98
Rot. Bonds4

About methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate

methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate (PubChem CID 10638032) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
PubChem CID10638032
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Namemethyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
SMILESCNC(=O)c1ccccc1Sc1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H15NO3S/c1-17-15(18)13-5-3-4-6-14(13)21-12-9-7-11(8-10-12)16(19)20-2/h3-10H,1-2H3,(H,17,18)
InChIKeyYXULEXJHWSYZLI-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
5-bromo-2-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91877531
N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
CID 143785887
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
methyl 4-[2-(2-phenylsulfanylphenyl)ethenyl]benzoate
CID 54354248
2-(4-acetylphenyl)sulfanylbenzoic acid
CID 43627891
2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide
CID 175999698
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
3-hydroxy-4-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91878751
(4-methoxycarbonylphenyl)-triphenylphosphanium
CID 19810472

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate?
The IUPAC name of methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate (CID 10638032) is methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate.
What is the SMILES notation for methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate?
The canonical SMILES for methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate is CNC(=O)c1ccccc1Sc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate?
The InChIKey is YXULEXJHWSYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-17-15(18)13-5-3-4-6-14(13)21-12-9-7-11(8-10-12)16(19)20-2/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate?
methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate has a molecular weight of 301.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate is sourced from PubChem (CID 10638032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).