5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide

C15H17N5O3S2 — CID 121117828

IUPAC5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)s1
InChIInChI=1S/C15H17N5O3S2/c1-11-6-7-13(24-11)25(22,23)17-9-10-20-15(21)19(2)14(18-20)12-5-3-4-8-16-12/h3-8,17H,9-10H2,1-2H3
InChIKeyYHRLFPHUEQBOMA-UHFFFAOYSA-N
MW379.47 g/mol
LogP0.99
Rot. Bonds6

About 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 121117828) has the molecular formula C15H17N5O3S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID121117828
Molecular FormulaC15H17N5O3S2
Molecular Weight379.47 g/mol
Exact Mass379.08
IUPAC Name5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)s1
InChIInChI=1S/C15H17N5O3S2/c1-11-6-7-13(24-11)25(22,23)17-9-10-20-15(21)19(2)14(18-20)12-5-3-4-8-16-12/h3-8,17H,9-10H2,1-2H3
InChIKeyYHRLFPHUEQBOMA-UHFFFAOYSA-N
XLogP0.99
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide 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 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 121117828) is 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)s1.
What is the InChIKey of 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YHRLFPHUEQBOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S2/c1-11-6-7-13(24-11)25(22,23)17-9-10-20-15(21)19(2)14(18-20)12-5-3-4-8-16-12/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 379.47 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121117828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).