3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide

C18H21N3O2S2 — CID 24816641

IUPAC3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-n1ncc(C(C)NS(=O)(=O)c2sccc2C)c1C
InChIInChI=1S/C18H21N3O2S2/c1-12-7-5-6-8-17(12)21-15(4)16(11-19-21)14(3)20-25(22,23)18-13(2)9-10-24-18/h5-11,14,20H,1-4H3
InChIKeyZZGNVZKAAUEDAR-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.90
Rot. Bonds5

About 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide

3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 24816641) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide
PubChem CID24816641
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-n1ncc(C(C)NS(=O)(=O)c2sccc2C)c1C
InChIInChI=1S/C18H21N3O2S2/c1-12-7-5-6-8-17(12)21-15(4)16(11-19-21)14(3)20-25(22,23)18-13(2)9-10-24-18/h5-11,14,20H,1-4H3
InChIKeyZZGNVZKAAUEDAR-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-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 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide (CID 24816641) is 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide is Cc1ccccc1-n1ncc(C(C)NS(=O)(=O)c2sccc2C)c1C.
What is the InChIKey of 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is ZZGNVZKAAUEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-12-7-5-6-8-17(12)21-15(4)16(11-19-21)14(3)20-25(22,23)18-13(2)9-10-24-18/h5-11,14,20H,1-4H3.
What are the key properties of 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide?
3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 375.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24816641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).