N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide

C17H24N4O2S — CID 138046821

IUPACN-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C17H24N4O2S/c1-3-13(2)12-24(22,23)18-11-16-19-20-17(14-9-10-14)21(16)15-7-5-4-6-8-15/h4-8,13-14,18H,3,9-12H2,1-2H3
InChIKeyRDTOKLJZGUQFLR-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.61
Rot. Bonds8

About N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide

N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide (PubChem CID 138046821) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide
PubChem CID138046821
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C17H24N4O2S/c1-3-13(2)12-24(22,23)18-11-16-19-20-17(14-9-10-14)21(16)15-7-5-4-6-8-15/h4-8,13-14,18H,3,9-12H2,1-2H3
InChIKeyRDTOKLJZGUQFLR-UHFFFAOYSA-N
XLogP2.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide 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

1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 154871894
N-[(2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethyl]benzenesulfonamide
CID 40942789
3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 167799475
N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 167807993
[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395856
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 2085678
1-cyclohexyl-3-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]urea
CID 155607964
N-benzyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2636392
5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
CID 10707883
N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide
CID 113081792
N-[1-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 60526396
N-cyclopropyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 87018572

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide?
The IUPAC name of N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide (CID 138046821) is N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)NCc1nnc(C2CC2)n1-c1ccccc1.
What is the InChIKey of N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide?
The InChIKey is RDTOKLJZGUQFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-13(2)12-24(22,23)18-11-16-19-20-17(14-9-10-14)21(16)15-7-5-4-6-8-15/h4-8,13-14,18H,3,9-12H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide?
N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 138046821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).