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

C18H18F4N2O4S — CID 118615027

IUPAC(2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1cnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F4N2O4S/c1-3-11-9-23-15(8-14(11)18(20,21)22)24-16(25)17(2,26)10-29(27,28)13-6-4-12(19)5-7-13/h4-9,26H,3,10H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyUSOKQINPZCXXQR-KRWDZBQOSA-N
MW434.41 g/mol
LogP2.97
Rot. Bonds6

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

(2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 118615027) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID118615027
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC Name(2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1cnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F4N2O4S/c1-3-11-9-23-15(8-14(11)18(20,21)22)24-16(25)17(2,26)10-29(27,28)13-6-4-12(19)5-7-13/h4-9,26H,3,10H2,1-2H3,(H,23,24,25)/t17-/m0/s1
InChIKeyUSOKQINPZCXXQR-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 118615027) is (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is CCc1cnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is USOKQINPZCXXQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-3-11-9-23-15(8-14(11)18(20,21)22)24-16(25)17(2,26)10-29(27,28)13-6-4-12(19)5-7-13/h4-9,26H,3,10H2,1-2H3,(H,23,24,25)/t17-/m0/s1.
What are the key properties of (2R)-N-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
(2R)-N-[5-ethyl-4-(trifluoromethyl)-2-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-[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 118615027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).