3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide

C23H24N2O3S2 — CID 78881149

IUPAC3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CC(=O)N2CCCC2c2cccs2)c2ccccc2)c1
InChIInChI=1S/C23H24N2O3S2/c1-18-8-5-11-20(16-18)30(27,28)25(19-9-3-2-4-10-19)17-23(26)24-14-6-12-21(24)22-13-7-15-29-22/h2-5,7-11,13,15-16,21H,6,12,14,17H2,1H3
InChIKeyUQWNBMOPBCANLG-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.62
Rot. Bonds6

About 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide

3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide (PubChem CID 78881149) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide
PubChem CID78881149
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CC(=O)N2CCCC2c2cccs2)c2ccccc2)c1
InChIInChI=1S/C23H24N2O3S2/c1-18-8-5-11-20(16-18)30(27,28)25(19-9-3-2-4-10-19)17-23(26)24-14-6-12-21(24)22-13-7-15-29-22/h2-5,7-11,13,15-16,21H,6,12,14,17H2,1H3
InChIKeyUQWNBMOPBCANLG-UHFFFAOYSA-N
XLogP4.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate
CID 55371209
2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 55591125
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methyl-N-phenylbenzenesulfonamide
CID 24609017
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51152885
2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78808542
2-(4-chloro-N-(3-methylphenyl)sulfonylanilino)-2-[2-[(4-chlorophenyl)-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfamoyl]-6-methylphenyl]acetic acid
CID 67211807
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78963103
2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-prop-2-enylamino]acetic acid
CID 79270175
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide (CID 78881149) is 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(CC(=O)N2CCCC2c2cccs2)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
The InChIKey is UQWNBMOPBCANLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-18-8-5-11-20(16-18)30(27,28)25(19-9-3-2-4-10-19)17-23(26)24-14-6-12-21(24)22-13-7-15-29-22/h2-5,7-11,13,15-16,21H,6,12,14,17H2,1H3.
What are the key properties of 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide?
3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide has a molecular weight of 440.59 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 78881149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).