N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

C22H22N2O3S2 — CID 42907938

IUPACN-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC2c2cccs2)c1
InChIInChI=1S/C22H22N2O3S2/c1-23(18-9-3-2-4-10-18)29(26,27)19-11-5-8-17(16-19)22(25)24-14-6-12-20(24)21-13-7-15-28-21/h2-5,7-11,13,15-16,20H,6,12,14H2,1H3
InChIKeyREAQCNQJTOERPM-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.55
Rot. Bonds5

About N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 42907938) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID42907938
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC NameN-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC2c2cccs2)c1
InChIInChI=1S/C22H22N2O3S2/c1-23(18-9-3-2-4-10-18)29(26,27)19-11-5-8-17(16-19)22(25)24-14-6-12-20(24)21-13-7-15-28-21/h2-5,7-11,13,15-16,20H,6,12,14H2,1H3
InChIKeyREAQCNQJTOERPM-UHFFFAOYSA-N
XLogP4.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 40854673
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51152885
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate
CID 55371209
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43004682
N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722334
3-methyl-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-N-phenylbenzenesulfonamide
CID 78881149
N-tert-butyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51165544
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 42907938) is N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC2c2cccs2)c1.
What is the InChIKey of N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is REAQCNQJTOERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-23(18-9-3-2-4-10-18)29(26,27)19-11-5-8-17(16-19)22(25)24-14-6-12-20(24)21-13-7-15-28-21/h2-5,7-11,13,15-16,20H,6,12,14H2,1H3.
What are the key properties of N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 42907938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).