1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide

C18H20N2O4S — CID 17412915

IUPAC1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20-13-5-8-17(20)18(21)19-14-9-11-16(12-10-14)24-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21)
InChIKeyHVJSGSFSEAIJCT-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.84
Rot. Bonds5

About 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide

1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 17412915) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID17412915
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)20-13-5-8-17(20)18(21)19-14-9-11-16(12-10-14)24-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21)
InChIKeyHVJSGSFSEAIJCT-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429298
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90513134
(4-acetamidophenyl) (2R)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 39994808
(2S)-N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 131915781
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide (CID 17412915) is 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HVJSGSFSEAIJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(22,23)20-13-5-8-17(20)18(21)19-14-9-11-16(12-10-14)24-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,19,21).
What are the key properties of 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 17412915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).