2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide

C25H24ClN5O4S — CID 66921591

IUPAC2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide
SMILESCC(COc1ccc(-n2cncn2)cc1)(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN5O4S/c1-25(24(32)29-21-9-7-20(26)8-10-21,30-36(33,34)15-19-5-3-2-4-6-19)16-35-23-13-11-22(12-14-23)31-18-27-17-28-31/h2-14,17-18,30H,15-16H2,1H3,(H,29,32)
InChIKeyZJHGFWBLTVGZKC-UHFFFAOYSA-N
MW526.02 g/mol
LogP3.82
Rot. Bonds10

About 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide

2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide (PubChem CID 66921591) has the molecular formula C25H24ClN5O4S and a molecular weight of 526.02 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide
PubChem CID66921591
Molecular FormulaC25H24ClN5O4S
Molecular Weight526.02 g/mol
Exact Mass525.12
IUPAC Name2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide
SMILESCC(COc1ccc(-n2cncn2)cc1)(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN5O4S/c1-25(24(32)29-21-9-7-20(26)8-10-21,30-36(33,34)15-19-5-3-2-4-6-19)16-35-23-13-11-22(12-14-23)31-18-27-17-28-31/h2-14,17-18,30H,15-16H2,1H3,(H,29,32)
InChIKeyZJHGFWBLTVGZKC-UHFFFAOYSA-N
XLogP3.82
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.02
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide 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-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide?
The IUPAC name of 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide (CID 66921591) is 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide?
The canonical SMILES for 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide is CC(COc1ccc(-n2cncn2)cc1)(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide?
The InChIKey is ZJHGFWBLTVGZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4S/c1-25(24(32)29-21-9-7-20(26)8-10-21,30-36(33,34)15-19-5-3-2-4-6-19)16-35-23-13-11-22(12-14-23)31-18-27-17-28-31/h2-14,17-18,30H,15-16H2,1H3,(H,29,32).
What are the key properties of 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide?
2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide has a molecular weight of 526.02 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 66921591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).