N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C22H28N2O4S — CID 132665070

IUPACN-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-5-19(17-9-8-15(2)16(3)13-17)23-29(26,27)18-10-11-21(28-4)20(14-18)24-12-6-7-22(24)25/h8-11,13-14,19,23H,5-7,12H2,1-4H3
InChIKeyGQTDLKGCRADLDW-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.87
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 132665070) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID132665070
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-5-19(17-9-8-15(2)16(3)13-17)23-29(26,27)18-10-11-21(28-4)20(14-18)24-12-6-7-22(24)25/h8-11,13-14,19,23H,5-7,12H2,1-4H3
InChIKeyGQTDLKGCRADLDW-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
CID 133162271
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30388641
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
CID 38011110
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
4-methoxy-N-(3-methoxypropyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30393955
N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
N-[1-(3,4-dimethylphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133219340
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 28633920

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 132665070) is N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is GQTDLKGCRADLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-5-19(17-9-8-15(2)16(3)13-17)23-29(26,27)18-10-11-21(28-4)20(14-18)24-12-6-7-22(24)25/h8-11,13-14,19,23H,5-7,12H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 132665070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).