4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C23H24N2O4S2 — CID 55349589

IUPAC4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3c3cccs3)c2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-2-29-19-10-12-20(13-11-19)31(27,28)24-18-7-3-6-17(16-18)23(26)25-14-4-8-21(25)22-9-5-15-30-22/h3,5-7,9-13,15-16,21,24H,2,4,8,14H2,1H3
InChIKeyMNTDONPXIFFOJB-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.92
Rot. Bonds7

About 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 55349589) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID55349589
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3c3cccs3)c2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-2-29-19-10-12-20(13-11-19)31(27,28)24-18-7-3-6-17(16-18)23(26)25-14-4-8-21(25)22-9-5-15-30-22/h3,5-7,9-13,15-16,21,24H,2,4,8,14H2,1H3
InChIKeyMNTDONPXIFFOJB-UHFFFAOYSA-N
XLogP4.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 25374945
N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55349268
N-tert-butyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51165544
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43004682
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460
N-[4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41080426
N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51152885
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 55349589) is 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3c3cccs3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is MNTDONPXIFFOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-2-29-19-10-12-20(13-11-19)31(27,28)24-18-7-3-6-17(16-18)23(26)25-14-4-8-21(25)22-9-5-15-30-22/h3,5-7,9-13,15-16,21,24H,2,4,8,14H2,1H3.
What are the key properties of 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 456.59 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55349589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).