1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C24H29N3O6S — CID 24625418

IUPAC1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CC(=O)N(c4ccccc4OC)C3)CC2)cc1
InChIInChI=1S/C24H29N3O6S/c1-32-19-7-9-20(10-8-19)34(30,31)26-13-11-18(12-14-26)25-24(29)17-15-23(28)27(16-17)21-5-3-4-6-22(21)33-2/h3-10,17-18H,11-16H2,1-2H3,(H,25,29)
InChIKeyVDFRKYOMVNUOOM-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.03
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 24625418) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID24625418
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CC(=O)N(c4ccccc4OC)C3)CC2)cc1
InChIInChI=1S/C24H29N3O6S/c1-32-19-7-9-20(10-8-19)34(30,31)26-13-11-18(12-14-26)25-24(29)17-15-23(28)27(16-17)21-5-3-4-6-22(21)33-2/h3-10,17-18H,11-16H2,1-2H3,(H,25,29)
InChIKeyVDFRKYOMVNUOOM-UHFFFAOYSA-N
XLogP2.03
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
1-(2-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24624597
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
1-(2-ethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120527
1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 55705430
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55945187

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 24625418) is 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CC(=O)N(c4ccccc4OC)C3)CC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VDFRKYOMVNUOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-32-19-7-9-20(10-8-19)34(30,31)26-13-11-18(12-14-26)25-24(29)17-15-23(28)27(16-17)21-5-3-4-6-22(21)33-2/h3-10,17-18H,11-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24625418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).