methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate

C17H18N2O5S — CID 2974111

IUPACmethyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1C
InChIInChI=1S/C17H18N2O5S/c1-11-12(17(21)24-2)8-6-10-14(11)18-16(20)13-7-4-5-9-15(13)19-25(3,22)23/h4-10,19H,1-3H3,(H,18,20)
InChIKeyNOWLKUGZIJLZCP-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.41
Rot. Bonds5

About methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate

methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate (PubChem CID 2974111) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
PubChem CID2974111
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1C
InChIInChI=1S/C17H18N2O5S/c1-11-12(17(21)24-2)8-6-10-14(11)18-16(20)13-7-4-5-9-15(13)19-25(3,22)23/h4-10,19H,1-3H3,(H,18,20)
InChIKeyNOWLKUGZIJLZCP-UHFFFAOYSA-N
XLogP2.41
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate 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 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 99957500
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
CID 41448766
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
CID 19062657
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 956522
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate (CID 2974111) is methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1C.
What is the InChIKey of methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
The InChIKey is NOWLKUGZIJLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-11-12(17(21)24-2)8-6-10-14(11)18-16(20)13-7-4-5-9-15(13)19-25(3,22)23/h4-10,19H,1-3H3,(H,18,20).
What are the key properties of methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate has a molecular weight of 362.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate is sourced from PubChem (CID 2974111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).