N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide

C20H28N4O4S — CID 5308486

IUPACN-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H28N4O4S/c1-15-20(16(2)22(3)21-15)29(26,27)24(17-8-10-18(28-4)11-9-17)14-19(25)23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3
InChIKeyDCMNFTSQWWUTMR-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.25
Rot. Bonds6

About N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide

N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide (PubChem CID 5308486) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
PubChem CID5308486
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H28N4O4S/c1-15-20(16(2)22(3)21-15)29(26,27)24(17-8-10-18(28-4)11-9-17)14-19(25)23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3
InChIKeyDCMNFTSQWWUTMR-UHFFFAOYSA-N
XLogP2.25
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide (CID 5308486) is N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide is COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is DCMNFTSQWWUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-15-20(16(2)22(3)21-15)29(26,27)24(17-8-10-18(28-4)11-9-17)14-19(25)23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide?
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 5308486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).