N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C14H21N3O3S2 — CID 71810413

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(C)s1
InChIInChI=1S/C14H21N3O3S2/c1-9-6-7-13(21-9)12(20-5)8-15-22(18,19)14-10(2)16-17(4)11(14)3/h6-7,12,15H,8H2,1-5H3
InChIKeyNZHYNYQEWKVZLD-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.07
Rot. Bonds6

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71810413) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71810413
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(C)s1
InChIInChI=1S/C14H21N3O3S2/c1-9-6-7-13(21-9)12(20-5)8-15-22(18,19)14-10(2)16-17(4)11(14)3/h6-7,12,15H,8H2,1-5H3
InChIKeyNZHYNYQEWKVZLD-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-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-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71810413) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is COC(CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is NZHYNYQEWKVZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-9-6-7-13(21-9)12(20-5)8-15-22(18,19)14-10(2)16-17(4)11(14)3/h6-7,12,15H,8H2,1-5H3.
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 343.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71810413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).