N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide

C22H28N2O3S — CID 55495250

IUPACN,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC2c2ccccc2)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-4-23(5-2)28(26,27)21-16-19(14-13-17(21)3)22(25)24-15-9-12-20(24)18-10-7-6-8-11-18/h6-8,10-11,13-14,16,20H,4-5,9,12,15H2,1-3H3
InChIKeyUAGGZBHAMJIGML-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.00
Rot. Bonds6

About N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide

N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 55495250) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID55495250
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC2c2ccccc2)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-4-23(5-2)28(26,27)21-16-19(14-13-17(21)3)22(25)24-15-9-12-20(24)18-10-7-6-8-11-18/h6-8,10-11,13-14,16,20H,4-5,9,12,15H2,1-3H3
InChIKeyUAGGZBHAMJIGML-UHFFFAOYSA-N
XLogP4.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119437192
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
[2-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55551826
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 55480785
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55980552
N-ethyl-3-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55530086
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 119520286
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119412837
2-(methylsulfonylmethylamino)-5-(2-phenylpyrrolidine-1-carbonyl)benzoic acid
CID 66614306
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 55495250) is N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC2c2ccccc2)ccc1C.
What is the InChIKey of N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is UAGGZBHAMJIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-23(5-2)28(26,27)21-16-19(14-13-17(21)3)22(25)24-15-9-12-20(24)18-10-7-6-8-11-18/h6-8,10-11,13-14,16,20H,4-5,9,12,15H2,1-3H3.
What are the key properties of N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide?
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55495250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).