methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate

C19H22N2O5S — CID 109062752

IUPACmethyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C19H22N2O5S/c1-13(2)12-20-27(24,25)15-8-6-7-14(11-15)18(22)21-17-10-5-4-9-16(17)19(23)26-3/h4-11,13,20H,12H2,1-3H3,(H,21,22)
InChIKeyROYIOTWMHBEJLA-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.66
Rot. Bonds7

About methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate

methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 109062752) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
PubChem CID109062752
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C19H22N2O5S/c1-13(2)12-20-27(24,25)15-8-6-7-14(11-15)18(22)21-17-10-5-4-9-16(17)19(23)26-3/h4-11,13,20H,12H2,1-3H3,(H,21,22)
InChIKeyROYIOTWMHBEJLA-UHFFFAOYSA-N
XLogP2.66
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]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

Related Compounds

N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062702
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062723
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280
N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate (CID 109062752) is methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1.
What is the InChIKey of methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is ROYIOTWMHBEJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(2)12-20-27(24,25)15-8-6-7-14(11-15)18(22)21-17-10-5-4-9-16(17)19(23)26-3/h4-11,13,20H,12H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate?
methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109062752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).