N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide

C14H21N3O2S2 — CID 46353485

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCCn1nc(C)c(CCN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C14H21N3O2S2/c1-5-17-12(3)13(11(2)15-17)8-9-16(4)21(18,19)14-7-6-10-20-14/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFBSPMOZRQXFZAC-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 46353485) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID46353485
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCCn1nc(C)c(CCN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C14H21N3O2S2/c1-5-17-12(3)13(11(2)15-17)8-9-16(4)21(18,19)14-7-6-10-20-14/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFBSPMOZRQXFZAC-UHFFFAOYSA-N
XLogP2.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-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-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide (CID 46353485) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide is CCn1nc(C)c(CCN(C)S(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is FBSPMOZRQXFZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-5-17-12(3)13(11(2)15-17)8-9-16(4)21(18,19)14-7-6-10-20-14/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 327.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 46353485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).