4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide

C19H22N2O4S — CID 16919759

IUPAC4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-3-5-16(6-4-14)21-13-15(11-19(21)22)12-20-26(23,24)18-9-7-17(25-2)8-10-18/h3-10,15,20H,11-13H2,1-2H3
InChIKeyBEXXPVOZBYXBSN-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.34
Rot. Bonds6

About 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide

4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 16919759) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID16919759
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-3-5-16(6-4-14)21-13-15(11-19(21)22)12-20-26(23,24)18-9-7-17(25-2)8-10-18/h3-10,15,20H,11-13H2,1-2H3
InChIKeyBEXXPVOZBYXBSN-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719
N-[4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylsulfamoyl]phenyl]acetamide
CID 16919601
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919756
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40911982
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919591
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40912055
N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40911948
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919638
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 40912395
2,4-difluoro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919615

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide (CID 16919759) is 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is BEXXPVOZBYXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-3-5-16(6-4-14)21-13-15(11-19(21)22)12-20-26(23,24)18-9-7-17(25-2)8-10-18/h3-10,15,20H,11-13H2,1-2H3.
What are the key properties of 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16919759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).