N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

C65H74F6N4O10S2 — CID 91175497

IUPACN-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC.CCCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1.CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1
InChIInChI=1S/C32H35F3N2O5S.C31H33F3N2O5S.C2H6/c1-3-5-17-31(18-16-22-10-7-6-8-11-22)20-27(38)29(30(39)42-31)26(4-2)23-12-9-13-25(19-23)37-43(40,41)28-15-14-24(21-36-28)32(33,34)35;1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34;1-2/h6-15,19,21,26,37-38H,3-5,16-18,20H2,1-2H3;5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3;1-2H3/t26-,31-;25-,30-;/m11./s1
InChIKeyHNJFJQZJASVNEI-BDINHWRDSA-N
MW1249.45 g/mol
LogP16.07
Rot. Bonds23

About N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 91175497) has the molecular formula C65H74F6N4O10S2 and a molecular weight of 1249.45 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID91175497
Molecular FormulaC65H74F6N4O10S2
Molecular Weight1249.45 g/mol
Exact Mass1248.48
IUPAC NameN-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC.CCCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1.CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1
InChIInChI=1S/C32H35F3N2O5S.C31H33F3N2O5S.C2H6/c1-3-5-17-31(18-16-22-10-7-6-8-11-22)20-27(38)29(30(39)42-31)26(4-2)23-12-9-13-25(19-23)37-43(40,41)28-15-14-24(21-36-28)32(33,34)35;1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34;1-2/h6-15,19,21,26,37-38H,3-5,16-18,20H2,1-2H3;5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3;1-2H3/t26-,31-;25-,30-;/m11./s1
InChIKeyHNJFJQZJASVNEI-BDINHWRDSA-N
XLogP16.07
TPSA211.18 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.45
LogP ≤ 516.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide with MolForge

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Related Compounds

5-(1,1-difluoroethyl)-N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide
CID 58746420
2-[[(2R)-6-oxo-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]phenyl]propyl]-3H-pyran-4-yl]oxy]acetic acid
CID 58969792
N-[3-[(1R)-1-[2-(2-cyclohexa-2,4-dien-1-ylethyl)-4-hydroxy-6-oxo-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 130324730
N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-N-methyl-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 71023147
5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide
CID 70081353
5-cyano-N-[3-[(1S)-1-[2-[2-(4-fluorophenyl)ethyl]-4-hydroxy-6-oxo-2-propyl-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide
CID 70221348
N-[3-[1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]methanesulfonamide
CID 59928682
N-[3-[2-[3-butyl-4-hydroxy-6-oxo-5-[1-[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]phenyl]propyl]-2H-pyran-3-yl]ethyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 54688138
ethane;methyl 5-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-5-[(1R)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]phenyl]propyl]-3H-pyran-2-yl]pentanoate
CID 158138500
N-[3-[1-[4-hydroxy-6-oxo-2,2-bis(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]pyrimidine-2-sulfonamide
CID 70080814
4-cyano-N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide
CID 54711589
2-methoxyethyl 5-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-5-[(1R)-1-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]-3H-pyran-2-yl]pentanoate
CID 160697848

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 91175497) is N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is CC.CCCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1.CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1.
What is the InChIKey of N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is HNJFJQZJASVNEI-BDINHWRDSA-N. The full InChI is InChI=1S/C32H35F3N2O5S.C31H33F3N2O5S.C2H6/c1-3-5-17-31(18-16-22-10-7-6-8-11-22)20-27(38)29(30(39)42-31)26(4-2)23-12-9-13-25(19-23)37-43(40,41)28-15-14-24(21-36-28)32(33,34)35;1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34;1-2/h6-15,19,21,26,37-38H,3-5,16-18,20H2,1-2H3;5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3;1-2H3/t26-,31-;25-,30-;/m11./s1.
What are the key properties of N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 1249.45 g/mol, XLogP of 16.07, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[(2R)-2-butyl-4-hydroxy-6-oxo-2-(2-phenylethyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide;ethane;N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 91175497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).