5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide

C22H24N4O3S — CID 86940781

IUPAC5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCC(C)S(=O)(=O)Cc1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O3S/c1-15(2)30(28,29)14-16-7-6-8-18(13-16)23-22(27)20-24-21(17-11-12-17)26(25-20)19-9-4-3-5-10-19/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,23,27)
InChIKeyOPHKIDGMJOTDLC-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.72
Rot. Bonds7

About 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide

5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 86940781) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID86940781
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCC(C)S(=O)(=O)Cc1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O3S/c1-15(2)30(28,29)14-16-7-6-8-18(13-16)23-22(27)20-24-21(17-11-12-17)26(25-20)19-9-4-3-5-10-19/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,23,27)
InChIKeyOPHKIDGMJOTDLC-UHFFFAOYSA-N
XLogP3.72
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide 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

5-cyclopropyl-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 86881454
N-[4-(cyanomethyl)phenyl]-5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 56823295
N-(3-benzylsulfonylpropyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881708
5-cyclopropyl-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881343
5-chloro-3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 60605483
5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 111332085
5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86974251
5-cyclopropyl-N-[1-(4-fluorophenoxy)propan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881413
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)propanamide
CID 46621478
5-cyclopropyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86883841
5-cyclopropyl-N-methyl-N-(3-methylsulfonylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75470449
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692529

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide (CID 86940781) is 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide is CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1.
What is the InChIKey of 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is OPHKIDGMJOTDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15(2)30(28,29)14-16-7-6-8-18(13-16)23-22(27)20-24-21(17-11-12-17)26(25-20)19-9-4-3-5-10-19/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86940781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).