methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate

C17H18N2O5S — CID 19062657

IUPACmethyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H18N2O5S/c1-11-10-12(8-9-14(11)19-25(3,22)23)16(20)18-15-7-5-4-6-13(15)17(21)24-2/h4-10,19H,1-3H3,(H,18,20)
InChIKeyKGJQGHWKCZXIDA-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.41
Rot. Bonds5

About methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate

methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate (PubChem CID 19062657) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
PubChem CID19062657
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H18N2O5S/c1-11-10-12(8-9-14(11)19-25(3,22)23)16(20)18-15-7-5-4-6-13(15)17(21)24-2/h4-10,19H,1-3H3,(H,18,20)
InChIKeyKGJQGHWKCZXIDA-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

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
methyl 2-[[3-[[2-methyl-4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate
CID 70097638
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate (CID 19062657) is methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1.
What is the InChIKey of methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate?
The InChIKey is KGJQGHWKCZXIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-11-10-12(8-9-14(11)19-25(3,22)23)16(20)18-15-7-5-4-6-13(15)17(21)24-2/h4-10,19H,1-3H3,(H,18,20).
What are the key properties of methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate?
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate 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 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate is sourced from PubChem (CID 19062657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).