methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate

C20H23N3O6S — CID 37174802

IUPACmethyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1cc(S(=O)(=O)NC2CC2)ccc1OC
InChIInChI=1S/C20H23N3O6S/c1-28-18-10-9-14(30(26,27)23-13-7-8-13)11-17(18)21-12-19(24)22-16-6-4-3-5-15(16)20(25)29-2/h3-6,9-11,13,21,23H,7-8,12H2,1-2H3,(H,22,24)
InChIKeyPQVHFUIPNOXDDE-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.97
Rot. Bonds9

About methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate

methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate (PubChem CID 37174802) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
PubChem CID37174802
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Namemethyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1cc(S(=O)(=O)NC2CC2)ccc1OC
InChIInChI=1S/C20H23N3O6S/c1-28-18-10-9-14(30(26,27)23-13-7-8-13)11-17(18)21-12-19(24)22-16-6-4-3-5-15(16)20(25)29-2/h3-6,9-11,13,21,23H,7-8,12H2,1-2H3,(H,22,24)
InChIKeyPQVHFUIPNOXDDE-UHFFFAOYSA-N
XLogP1.97
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]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-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417859
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
CID 55565298
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 39998729
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate (CID 37174802) is methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNc1cc(S(=O)(=O)NC2CC2)ccc1OC.
What is the InChIKey of methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate?
The InChIKey is PQVHFUIPNOXDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-28-18-10-9-14(30(26,27)23-13-7-8-13)11-17(18)21-12-19(24)22-16-6-4-3-5-15(16)20(25)29-2/h3-6,9-11,13,21,23H,7-8,12H2,1-2H3,(H,22,24).
What are the key properties of methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate?
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate has a molecular weight of 433.49 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate is sourced from PubChem (CID 37174802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).