N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C20H24N2O5S — CID 92684806

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-14(15-6-11-18(26-2)19(13-15)27-3)21-28(24,25)17-9-7-16(8-10-17)22-12-4-5-20(22)23/h6-11,13-14,21H,4-5,12H2,1-3H3/t14-/m1/s1
InChIKeyJRIFDFRXPRYDMX-CQSZACIVSA-N
MW404.49 g/mol
LogP2.87
Rot. Bonds7

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 92684806) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID92684806
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-14(15-6-11-18(26-2)19(13-15)27-3)21-28(24,25)17-9-7-16(8-10-17)22-12-4-5-20(22)23/h6-11,13-14,21H,4-5,12H2,1-3H3/t14-/m1/s1
InChIKeyJRIFDFRXPRYDMX-CQSZACIVSA-N
XLogP2.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51249075
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30388641
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 94501246
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30382255
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
1-[4-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826366
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 92684806) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is JRIFDFRXPRYDMX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(15-6-11-18(26-2)19(13-15)27-3)21-28(24,25)17-9-7-16(8-10-17)22-12-4-5-20(22)23/h6-11,13-14,21H,4-5,12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 92684806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).