(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

C26H24F5N3O4S — CID 144826681

IUPAC(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2CC(C)(F)CN2S(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H24F5N3O4S/c1-16-13-32-19(11-22(16)17-3-7-20(8-4-17)38-26(29,30)31)14-33-24(35)23-12-25(2,28)15-34(23)39(36,37)21-9-5-18(27)6-10-21/h3-11,13,23H,12,14-15H2,1-2H3,(H,33,35)/t23-,25?/m0/s1
InChIKeyUOSSUFGVXTZYLP-LFQPHHBNSA-N
MW569.55 g/mol
LogP4.90
Rot. Bonds7

About (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 144826681) has the molecular formula C26H24F5N3O4S and a molecular weight of 569.55 g/mol. Its IUPAC name is (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID144826681
Molecular FormulaC26H24F5N3O4S
Molecular Weight569.55 g/mol
Exact Mass569.14
IUPAC Name(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2CC(C)(F)CN2S(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H24F5N3O4S/c1-16-13-32-19(11-22(16)17-3-7-20(8-4-17)38-26(29,30)31)14-33-24(35)23-12-25(2,28)15-34(23)39(36,37)21-9-5-18(27)6-10-21/h3-11,13,23H,12,14-15H2,1-2H3,(H,33,35)/t23-,25?/m0/s1
InChIKeyUOSSUFGVXTZYLP-LFQPHHBNSA-N
XLogP4.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-3-methyl-2-[[4-[4-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]phenyl]sulfonylamino]butanoic acid
CID 57400708
N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341726
6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341727
US10626112, Example 89
CID 122696009
US10626112, Example 128
CID 122696014
US10626112, Example 129
CID 122696016
US10626112, Example 88
CID 122696038
US10626112, Example 98
CID 122696046
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 5308685
N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]pyridine-3-sulfonamide
CID 44345955
US11236046, Example 160
CID 118007902
(2S,4R)-N-[[2-chloro-6-[4-(difluoromethoxy)phenyl]-4-pyridyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide
CID 118008070

Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 144826681) is (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is Cc1cnc(CNC(=O)[C@@H]2CC(C)(F)CN2S(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is UOSSUFGVXTZYLP-LFQPHHBNSA-N. The full InChI is InChI=1S/C26H24F5N3O4S/c1-16-13-32-19(11-22(16)17-3-7-20(8-4-17)38-26(29,30)31)14-33-24(35)23-12-25(2,28)15-34(23)39(36,37)21-9-5-18(27)6-10-21/h3-11,13,23H,12,14-15H2,1-2H3,(H,33,35)/t23-,25?/m0/s1.
What are the key properties of (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 569.55 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methyl-N-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144826681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).