N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

C23H24N2O4S2 — CID 55349268

IUPACN-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3c3cccs3)c2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-16-7-12-19(31(27,28)24-17-8-10-18(29-2)11-9-17)15-20(16)23(26)25-13-3-5-21(25)22-6-4-14-30-22/h4,6-12,14-15,21,24H,3,5,13H2,1-2H3
InChIKeyQWNMYITVYTULID-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.84
Rot. Bonds6

About N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide

N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 55349268) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID55349268
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3c3cccs3)c2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-16-7-12-19(31(27,28)24-17-8-10-18(29-2)11-9-17)15-20(16)23(26)25-13-3-5-21(25)22-6-4-14-30-22/h4,6-12,14-15,21,24H,3,5,13H2,1-2H3
InChIKeyQWNMYITVYTULID-UHFFFAOYSA-N
XLogP4.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584
N-[4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41080426
4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55349589
3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55654984
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
(2S)-N-(4-methoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide
CID 8658799
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
3-[4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 25350794
(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55843878
(2R)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 52766431
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 55349268) is N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3c3cccs3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is QWNMYITVYTULID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-16-7-12-19(31(27,28)24-17-8-10-18(29-2)11-9-17)15-20(16)23(26)25-13-3-5-21(25)22-6-4-14-30-22/h4,6-12,14-15,21,24H,3,5,13H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 456.59 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55349268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).