[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate

C19H20N2O6S — CID 2677714

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-16-9-7-15(8-10-16)21-28(24,25)17-4-2-3-13(11-17)19(23)27-12-18(22)20-14-5-6-14/h2-4,7-11,14,21H,5-6,12H2,1H3,(H,20,22)
InChIKeyLMJGPLJWGJNWDP-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.93
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate

[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 2677714) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID2677714
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-16-9-7-15(8-10-16)21-28(24,25)17-4-2-3-13(11-17)19(23)27-12-18(22)20-14-5-6-14/h2-4,7-11,14,21H,5-6,12H2,1H3,(H,20,22)
InChIKeyLMJGPLJWGJNWDP-UHFFFAOYSA-N
XLogP1.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate (CID 2677714) is [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC3CC3)c2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is LMJGPLJWGJNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-26-16-9-7-15(8-10-16)21-28(24,25)17-4-2-3-13(11-17)19(23)27-12-18(22)20-14-5-6-14/h2-4,7-11,14,21H,5-6,12H2,1H3,(H,20,22).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 404.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2677714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).