2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C17H18N6O3S2 — CID 4662068

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2n[nH]c(N)n2)c1
InChIInChI=1S/C17H18N6O3S2/c1-23(13-7-3-2-4-8-13)28(25,26)14-9-5-6-12(10-14)19-15(24)11-27-17-20-16(18)21-22-17/h2-10H,11H2,1H3,(H,19,24)(H3,18,20,21,22)
InChIKeyNXKONOQAUIUELG-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.94
Rot. Bonds7

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4662068) has the molecular formula C17H18N6O3S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4662068
Molecular FormulaC17H18N6O3S2
Molecular Weight418.50 g/mol
Exact Mass418.09
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2n[nH]c(N)n2)c1
InChIInChI=1S/C17H18N6O3S2/c1-23(13-7-3-2-4-8-13)28(25,26)14-9-5-6-12(10-14)19-15(24)11-27-17-20-16(18)21-22-17/h2-10H,11H2,1H3,(H,19,24)(H3,18,20,21,22)
InChIKeyNXKONOQAUIUELG-UHFFFAOYSA-N
XLogP1.94
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide 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-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4662068) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2n[nH]c(N)n2)c1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is NXKONOQAUIUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S2/c1-23(13-7-3-2-4-8-13)28(25,26)14-9-5-6-12(10-14)19-15(24)11-27-17-20-16(18)21-22-17/h2-10H,11H2,1H3,(H,19,24)(H3,18,20,21,22).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4662068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).