2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide

C19H19N5O3S2 — CID 4561207

IUPAC2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1
InChIInChI=1S/C19H19N5O3S2/c20-29(26,27)16-8-4-5-14(11-16)21-17(25)12-28-19-23-22-18(13-9-10-13)24(19)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,21,25)(H2,20,26,27)
InChIKeyUSOZBSJBBOMPLC-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.52
Rot. Bonds7

About 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide

2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 4561207) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID4561207
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC Name2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1
InChIInChI=1S/C19H19N5O3S2/c20-29(26,27)16-8-4-5-14(11-16)21-17(25)12-28-19-23-22-18(13-9-10-13)24(19)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,21,25)(H2,20,26,27)
InChIKeyUSOZBSJBBOMPLC-UHFFFAOYSA-N
XLogP2.52
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide (CID 4561207) is 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1.
What is the InChIKey of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is USOZBSJBBOMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c20-29(26,27)16-8-4-5-14(11-16)21-17(25)12-28-19-23-22-18(13-9-10-13)24(19)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,21,25)(H2,20,26,27).
What are the key properties of 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 429.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4561207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).