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

C18H20N2O4S — CID 16828016

IUPAC1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-15-9-11-16(12-10-15)25(22,23)20-13-5-8-17(20)18(21)19-14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21)
InChIKeyPODUMFQRINSQOA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.49
Rot. Bonds5

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

1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 16828016) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID16828016
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-15-9-11-16(12-10-15)25(22,23)20-13-5-8-17(20)18(21)19-14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21)
InChIKeyPODUMFQRINSQOA-UHFFFAOYSA-N
XLogP2.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2R)-1-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 41024699
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 1296474
1-(4-methoxyphenyl)sulfonyl-N'-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 42916304
N-(4-anilinophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789803
(2S)-N-(2-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8926953
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide (CID 16828016) is 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is PODUMFQRINSQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-15-9-11-16(12-10-15)25(22,23)20-13-5-8-17(20)18(21)19-14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16828016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).