(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide

C18H19FN2O4S — CID 1468399

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4S/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyIERHBDJKZZJBOL-QGZVFWFLSA-N
MW378.43 g/mol
LogP2.63
Rot. Bonds5

About (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide

(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 1468399) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID1468399
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4S/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyIERHBDJKZZJBOL-QGZVFWFLSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92887594
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 18150594
(2S)-1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 40799614
(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468405
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
(2R)-1-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 41024699
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 172965242
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide (CID 1468399) is (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide is COc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IERHBDJKZZJBOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 1468399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).