N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

C19H24N2O3S2 — CID 51152885

IUPACN,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-3-20(4-2)26(23,24)16-11-9-15(10-12-16)19(22)21-13-5-7-17(21)18-8-6-14-25-18/h6,8-12,14,17H,3-5,7,13H2,1-2H3
InChIKeyLPQMFPBGGDUEAS-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.76
Rot. Bonds6

About N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 51152885) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID51152885
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-3-20(4-2)26(23,24)16-11-9-15(10-12-16)19(22)21-13-5-7-17(21)18-8-6-14-25-18/h6,8-12,14,17H,3-5,7,13H2,1-2H3
InChIKeyLPQMFPBGGDUEAS-UHFFFAOYSA-N
XLogP3.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51165544
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 26665047
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
N-[4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41080426
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate
CID 43004636
4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55349589
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
N,N-diethyl-4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073485
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 51152885) is N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC2c2cccs2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is LPQMFPBGGDUEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-3-20(4-2)26(23,24)16-11-9-15(10-12-16)19(22)21-13-5-7-17(21)18-8-6-14-25-18/h6,8-12,14,17H,3-5,7,13H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 392.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 51152885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).