(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H21FN2O5S — CID 1468405

IUPAC(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C19H21FN2O5S/c1-26-14-7-10-16(18(12-14)27-2)21-19(23)17-4-3-11-22(17)28(24,25)15-8-5-13(20)6-9-15/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyQVXLHNDTJPYGFM-QGZVFWFLSA-N
MW408.45 g/mol
LogP2.63
Rot. Bonds6

About (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 1468405) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID1468405
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C19H21FN2O5S/c1-26-14-7-10-16(18(12-14)27-2)21-19(23)17-4-3-11-22(17)28(24,25)15-8-5-13(20)6-9-15/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyQVXLHNDTJPYGFM-QGZVFWFLSA-N
XLogP2.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468417
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3746097
(2S)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468418
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92887594
(2S)-N-(2-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8926953
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108802633
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 25496985
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
1-(4-chlorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 16925178
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932
(2R)-1,4-bis(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperazine-2-carboxamide
CID 94860774

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 1468405) is (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is QVXLHNDTJPYGFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-26-14-7-10-16(18(12-14)27-2)21-19(23)17-4-3-11-22(17)28(24,25)15-8-5-13(20)6-9-15/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 1468405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).