1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

C23H31N3O6S — CID 43019286

IUPAC1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC2c2ccc(OC)cc2OC)c1
InChIInChI=1S/C23H31N3O6S/c1-5-25(6-2)33(29,30)18-10-12-22(27)24(15-18)16-23(28)26-13-7-8-20(26)19-11-9-17(31-3)14-21(19)32-4/h9-12,14-15,20H,5-8,13,16H2,1-4H3
InChIKeyPMCMUDYKNATAHT-UHFFFAOYSA-N
MW477.58 g/mol
LogP2.26
Rot. Bonds9

About 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 43019286) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID43019286
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC2c2ccc(OC)cc2OC)c1
InChIInChI=1S/C23H31N3O6S/c1-5-25(6-2)33(29,30)18-10-12-22(27)24(15-18)16-23(28)26-13-7-8-20(26)19-11-9-17(31-3)14-21(19)32-4/h9-12,14-15,20H,5-8,13,16H2,1-4H3
InChIKeyPMCMUDYKNATAHT-UHFFFAOYSA-N
XLogP2.26
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide
CID 30218825
6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 126768105
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60503715
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 46636671
3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 46587886
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 55565941
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 100842235
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(2,5-dimethylpyrrol-1-yl)propan-1-one
CID 124879737

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 43019286) is 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC2c2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is PMCMUDYKNATAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-5-25(6-2)33(29,30)18-10-12-22(27)24(15-18)16-23(28)26-13-7-8-20(26)19-11-9-17(31-3)14-21(19)32-4/h9-12,14-15,20H,5-8,13,16H2,1-4H3.
What are the key properties of 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 477.58 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 43019286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).