3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

C19H22N2O5S — CID 7564535

IUPAC3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-13-4-6-15(7-5-13)21-12-14(10-19(21)22)20-27(23,24)16-8-9-17(25-2)18(11-16)26-3/h4-9,11,14,20H,10,12H2,1-3H3/t14-/m0/s1
InChIKeyFJUMEMBONUDDRX-AWEZNQCLSA-N
MW390.46 g/mol
LogP2.10
Rot. Bonds6

About 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 7564535) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID7564535
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-13-4-6-15(7-5-13)21-12-14(10-19(21)22)20-27(23,24)16-8-9-17(25-2)18(11-16)26-3/h4-9,11,14,20H,10,12H2,1-3H3/t14-/m0/s1
InChIKeyFJUMEMBONUDDRX-AWEZNQCLSA-N
XLogP2.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 16829562
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
CID 16822400
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 7564571
2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564547
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 7564535) is 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is FJUMEMBONUDDRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-4-6-15(7-5-13)21-12-14(10-19(21)22)20-27(23,24)16-8-9-17(25-2)18(11-16)26-3/h4-9,11,14,20H,10,12H2,1-3H3/t14-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 7564535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).