1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide

C20H24N4O3S — CID 46982024

IUPAC1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccn2)c2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C20H24N4O3S/c1-4-23-15-20(16(2)22-23)28(25,26)24(14-12-17-7-5-6-13-21-17)18-8-10-19(27-3)11-9-18/h5-11,13,15H,4,12,14H2,1-3H3
InChIKeyRBWYSQSLXOUPIR-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.05
Rot. Bonds8

About 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide

1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 46982024) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID46982024
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccn2)c2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C20H24N4O3S/c1-4-23-15-20(16(2)22-23)28(25,26)24(14-12-17-7-5-6-13-21-17)18-8-10-19(27-3)11-9-18/h5-11,13,15H,4,12,14H2,1-3H3
InChIKeyRBWYSQSLXOUPIR-UHFFFAOYSA-N
XLogP3.05
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 46972372
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride
CID 45108798
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29096121
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
N-(2-hydroxyphenyl)-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781422
1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29090004
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide (CID 46982024) is 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCc2ccccn2)c2ccc(OC)cc2)c(C)n1.
What is the InChIKey of 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is RBWYSQSLXOUPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-4-23-15-20(16(2)22-23)28(25,26)24(14-12-17-7-5-6-13-21-17)18-8-10-19(27-3)11-9-18/h5-11,13,15H,4,12,14H2,1-3H3.
What are the key properties of 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide?
1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 46982024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).