1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide

C24H24N2O5S — CID 169284552

IUPAC1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3ccccc3)CC2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-30-19-12-14-22(15-13-19)32(28,29)26-17-21(31-20-10-6-3-7-11-20)16-23(26)24(27)25-18-8-4-2-5-9-18/h2-15,21,23H,16-17H2,1H3,(H,25,27)
InChIKeyJXNMGIKPJXCGEW-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.54
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide

1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide (PubChem CID 169284552) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
PubChem CID169284552
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3ccccc3)CC2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-30-19-12-14-22(15-13-19)32(28,29)26-17-21(31-20-10-6-3-7-11-20)16-23(26)24(27)25-18-8-4-2-5-9-18/h2-15,21,23H,16-17H2,1H3,(H,25,27)
InChIKeyJXNMGIKPJXCGEW-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 169284615
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110196927
methyl (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxypyrrolidine-2-carboxylate
CID 59908685
1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
CID 2864807
methyl 1-(4-acetamidophenyl)sulfonyl-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620428
(4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 142043590
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 98397285
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571
methyl 4-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304570
2-(benzenesulfonyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53091295

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide (CID 169284552) is 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CC(Oc3ccccc3)CC2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is JXNMGIKPJXCGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-30-19-12-14-22(15-13-19)32(28,29)26-17-21(31-20-10-6-3-7-11-20)16-23(26)24(27)25-18-8-4-2-5-9-18/h2-15,21,23H,16-17H2,1H3,(H,25,27).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide?
1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 169284552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).