(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide

C24H23F3N2O6S — CID 169308061

IUPAC(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide
SMILESCOCc1cc(NC(=O)C(CO)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O6S/c1-34-15-17-12-18(28-23(31)21(14-30)16-6-3-2-4-7-16)10-11-22(17)36(32,33)29-19-8-5-9-20(13-19)35-24(25,26)27/h2-13,21,29-30H,14-15H2,1H3,(H,28,31)
InChIKeyZBYUMUBNYGFARJ-UHFFFAOYSA-N
MW524.52 g/mol
LogP4.25
Rot. Bonds10

About (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide

(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide (PubChem CID 169308061) has the molecular formula C24H23F3N2O6S and a molecular weight of 524.52 g/mol. Its IUPAC name is (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide
PubChem CID169308061
Molecular FormulaC24H23F3N2O6S
Molecular Weight524.52 g/mol
Exact Mass524.12
IUPAC Name(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide
SMILESCOCc1cc(NC(=O)C(CO)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O6S/c1-34-15-17-12-18(28-23(31)21(14-30)16-6-3-2-4-7-16)10-11-22(17)36(32,33)29-19-8-5-9-20(13-19)35-24(25,26)27/h2-13,21,29-30H,14-15H2,1H3,(H,28,31)
InChIKeyZBYUMUBNYGFARJ-UHFFFAOYSA-N
XLogP4.25
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.52
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(4-fluorophenyl)-3-hydroxypropanamide
CID 169308123
(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
CID 169307654
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylpentanamide
CID 169307678
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-4-methylpent-4-enamide
CID 169307988
(2R)-N-[3-chloro-4-[[3-[difluoro(phosphanyl)methoxy]phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 170339044
2-(4-bromophenyl)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308187
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(2-hydroxyethyl)-4-methylpentanamide
CID 169307929
2-cyclopropyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308031
(2S)-2-acetamido-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169204669

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide?
The IUPAC name of (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide (CID 169308061) is (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide is COCc1cc(NC(=O)C(CO)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide?
The InChIKey is ZBYUMUBNYGFARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O6S/c1-34-15-17-12-18(28-23(31)21(14-30)16-6-3-2-4-7-16)10-11-22(17)36(32,33)29-19-8-5-9-20(13-19)35-24(25,26)27/h2-13,21,29-30H,14-15H2,1H3,(H,28,31).
What are the key properties of (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide?
(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide has a molecular weight of 524.52 g/mol, XLogP of 4.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide is sourced from PubChem (CID 169308061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).