N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide

C12H17N3O2S2 — CID 19575236

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C12H17N3O2S2/c1-4-15-10(2)11(8-13-15)9-14(3)19(16,17)12-6-5-7-18-12/h5-8H,4,9H2,1-3H3
InChIKeyYFHDEHLDVZDHLR-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.09
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 19575236) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID19575236
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C12H17N3O2S2/c1-4-15-10(2)11(8-13-15)9-14(3)19(16,17)12-6-5-7-18-12/h5-8H,4,9H2,1-3H3
InChIKeyYFHDEHLDVZDHLR-UHFFFAOYSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-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 N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide (CID 19575236) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide is CCn1ncc(CN(C)S(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is YFHDEHLDVZDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-4-15-10(2)11(8-13-15)9-14(3)19(16,17)12-6-5-7-18-12/h5-8H,4,9H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 19575236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).