(2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C24H23F3N2O6S — CID 118413787

IUPAC(2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccc(C(F)(F)F)cc2)c1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccco1
InChIInChI=1S/C24H23F3N2O6S/c25-24(26,27)18-8-6-16(7-9-18)15-35-20-4-1-3-17(11-20)13-28-23(31)21-12-19(30)14-29(21)36(32,33)22-5-2-10-34-22/h1-11,19,21,30H,12-15H2,(H,28,31)/t19-,21+/m1/s1
InChIKeyWOKYDXMYPYNGJZ-CTNGQTDRSA-N
MW524.52 g/mol
LogP3.32
Rot. Bonds8

About (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 118413787) has the molecular formula C24H23F3N2O6S and a molecular weight of 524.52 g/mol. Its IUPAC name is (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID118413787
Molecular FormulaC24H23F3N2O6S
Molecular Weight524.52 g/mol
Exact Mass524.12
IUPAC Name(2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccc(C(F)(F)F)cc2)c1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccco1
InChIInChI=1S/C24H23F3N2O6S/c25-24(26,27)18-8-6-16(7-9-18)15-35-20-4-1-3-17(11-20)13-28-23(31)21-12-19(30)14-29(21)36(32,33)22-5-2-10-34-22/h1-11,19,21,30H,12-15H2,(H,28,31)/t19-,21+/m1/s1
InChIKeyWOKYDXMYPYNGJZ-CTNGQTDRSA-N
XLogP3.32
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 90247860
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122686030
(1S,3S,5S)-2-(4-fluorophenyl)sulfonyl-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 118413615
(2S)-1-pyridin-3-ylsulfonyl-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118413630
(2S)-1-(1-benzofuran-2-ylsulfonyl)-N-[[3-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122685777
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122686967
1-[(1R,2S,5S)-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 158023239
(2S)-N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118413755
2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 60605202
1-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 158440464
(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
CID 100722173
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 118413787) is (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(OCc2ccc(C(F)(F)F)cc2)c1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccco1.
What is the InChIKey of (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WOKYDXMYPYNGJZ-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H23F3N2O6S/c25-24(26,27)18-8-6-16(7-9-18)15-35-20-4-1-3-17(11-20)13-28-23(31)21-12-19(30)14-29(21)36(32,33)22-5-2-10-34-22/h1-11,19,21,30H,12-15H2,(H,28,31)/t19-,21+/m1/s1.
What are the key properties of (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 524.52 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(furan-2-ylsulfonyl)-4-hydroxy-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118413787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).