(2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

C25H25F3N2O4S — CID 92683487

IUPAC(2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H25F3N2O4S/c1-16(2)22-9-4-5-10-23(22)34-17(3)24(31)29-19-11-13-21(14-12-19)35(32,33)30-20-8-6-7-18(15-20)25(26,27)28/h4-17,30H,1-3H3,(H,29,31)/t17-/m1/s1
InChIKeyJGMZDCSMXNVFDE-QGZVFWFLSA-N
MW506.55 g/mol
LogP6.04
Rot. Bonds8

About (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

(2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (PubChem CID 92683487) has the molecular formula C25H25F3N2O4S and a molecular weight of 506.55 g/mol. Its IUPAC name is (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
PubChem CID92683487
Molecular FormulaC25H25F3N2O4S
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC Name(2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H25F3N2O4S/c1-16(2)22-9-4-5-10-23(22)34-17(3)24(31)29-19-11-13-21(14-12-19)35(32,33)30-20-8-6-7-18(15-20)25(26,27)28/h4-17,30H,1-3H3,(H,29,31)/t17-/m1/s1
InChIKeyJGMZDCSMXNVFDE-QGZVFWFLSA-N
XLogP6.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide with MolForge

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Related Compounds

N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
2-(4-tert-butylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 21367346
(2R)-2-(3-methoxyphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 99957789
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17069700
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
(2S)-2-(2-chlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 28635319
(2S)-2-(2,3-dimethylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 94016332
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
(2S)-2-(2-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 7819322
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 92646395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (CID 92683487) is (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The InChIKey is JGMZDCSMXNVFDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25F3N2O4S/c1-16(2)22-9-4-5-10-23(22)34-17(3)24(31)29-19-11-13-21(14-12-19)35(32,33)30-20-8-6-7-18(15-20)25(26,27)28/h4-17,30H,1-3H3,(H,29,31)/t17-/m1/s1.
What are the key properties of (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
(2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide has a molecular weight of 506.55 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 92683487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).