(2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C19H21F3N2O4S — CID 6102762

IUPAC(2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeySHEIQJGQDUYUBE-GOSISDBHSA-N
MW430.45 g/mol
LogP3.46
Rot. Bonds6

About (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 6102762) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID6102762
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC Name(2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeySHEIQJGQDUYUBE-GOSISDBHSA-N
XLogP3.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 6102762) is (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c1.
What is the InChIKey of (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is SHEIQJGQDUYUBE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 430.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 6102762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).