1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide

C17H24N4O3S — CID 146154861

IUPAC1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NS(C)(=O)=O)nnn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24N4O3S/c1-6-7-14-15(16(22)19-25(5,23)24)18-20-21(14)13-10-8-12(9-11-13)17(2,3)4/h8-11H,6-7H2,1-5H3,(H,19,22)
InChIKeyOJNIHTHMHHJLKO-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide

1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide (PubChem CID 146154861) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide
PubChem CID146154861
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NS(C)(=O)=O)nnn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24N4O3S/c1-6-7-14-15(16(22)19-25(5,23)24)18-20-21(14)13-10-8-12(9-11-13)17(2,3)4/h8-11H,6-7H2,1-5H3,(H,19,22)
InChIKeyOJNIHTHMHHJLKO-UHFFFAOYSA-N
XLogP2.21
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide 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 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide (CID 146154861) is 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)NS(C)(=O)=O)nnn1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide?
The InChIKey is OJNIHTHMHHJLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-6-7-14-15(16(22)19-25(5,23)24)18-20-21(14)13-10-8-12(9-11-13)17(2,3)4/h8-11H,6-7H2,1-5H3,(H,19,22).
What are the key properties of 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide?
1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 146154861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).