(2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide

C19H21F3N2O5S — CID 67600522

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c2)cc1
InChIInChI=1S/C19H21F3N2O5S/c1-12-11-15(9-10-16(12)23-17(25)18(2,26)19(20,21)22)30(27,28)24(3)13-5-7-14(29-4)8-6-13/h5-11,26H,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyNJVFDJQWHHHSRY-GOSISDBHSA-N
MW446.45 g/mol
LogP3.08
Rot. Bonds6

About (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide

(2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide (PubChem CID 67600522) has the molecular formula C19H21F3N2O5S and a molecular weight of 446.45 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide
PubChem CID67600522
Molecular FormulaC19H21F3N2O5S
Molecular Weight446.45 g/mol
Exact Mass446.11
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c2)cc1
InChIInChI=1S/C19H21F3N2O5S/c1-12-11-15(9-10-16(12)23-17(25)18(2,26)19(20,21)22)30(27,28)24(3)13-5-7-14(29-4)8-6-13/h5-11,26H,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyNJVFDJQWHHHSRY-GOSISDBHSA-N
XLogP3.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide (CID 67600522) is (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide is COc1ccc(N(C)S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c2)cc1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide?
The InChIKey is NJVFDJQWHHHSRY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F3N2O5S/c1-12-11-15(9-10-16(12)23-17(25)18(2,26)19(20,21)22)30(27,28)24(3)13-5-7-14(29-4)8-6-13/h5-11,26H,1-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide?
(2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide has a molecular weight of 446.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-N-[4-[(4-methoxyphenyl)-methylsulfamoyl]-2-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 67600522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).