(2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

C18H18F4N2O4S — CID 118614965

IUPAC(2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1ncc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F4N2O4S/c1-3-15-14(18(20,21)22)8-12(9-23-15)24-16(25)17(2,26)10-29(27,28)13-6-4-11(19)5-7-13/h4-9,26H,3,10H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyYYXVHFARFULFAO-KRWDZBQOSA-N
MW434.41 g/mol
LogP2.97
Rot. Bonds6

About (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

(2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 118614965) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID118614965
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC Name(2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1ncc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F4N2O4S/c1-3-15-14(18(20,21)22)8-12(9-23-15)24-16(25)17(2,26)10-29(27,28)13-6-4-11(19)5-7-13/h4-9,26H,3,10H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyYYXVHFARFULFAO-KRWDZBQOSA-N
XLogP2.97
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 118614965) is (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is CCc1ncc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is YYXVHFARFULFAO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-3-15-14(18(20,21)22)8-12(9-23-15)24-16(25)17(2,26)10-29(27,28)13-6-4-11(19)5-7-13/h4-9,26H,3,10H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
(2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 434.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 118614965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).