N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide

C21H30N4O4S — CID 5308173

IUPACN-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H30N4O4S/c1-15-10-12-24(13-11-15)20(26)14-25(18-6-8-19(29-5)9-7-18)30(27,28)21-16(2)22-23(4)17(21)3/h6-9,15H,10-14H2,1-5H3
InChIKeyNZUFCSRJCQLNKJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.50
Rot. Bonds6

About N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide

N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide (PubChem CID 5308173) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide
PubChem CID5308173
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H30N4O4S/c1-15-10-12-24(13-11-15)20(26)14-25(18-6-8-19(29-5)9-7-18)30(27,28)21-16(2)22-23(4)17(21)3/h6-9,15H,10-14H2,1-5H3
InChIKeyNZUFCSRJCQLNKJ-UHFFFAOYSA-N
XLogP2.50
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.50
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-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide (CID 5308173) is N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide is COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
The InChIKey is NZUFCSRJCQLNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-15-10-12-24(13-11-15)20(26)14-25(18-6-8-19(29-5)9-7-18)30(27,28)21-16(2)22-23(4)17(21)3/h6-9,15H,10-14H2,1-5H3.
What are the key properties of N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide has a molecular weight of 434.56 g/mol, XLogP of 2.50, 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-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 5308173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).