N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C20H22F3NO4S — CID 56765470

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO4S/c1-13(2)29(27,28)17-9-3-14(4-10-17)11-19(26)24-12-18(25)15-5-7-16(8-6-15)20(21,22)23/h3-10,13,18,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyHGPXGRVZHACACF-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.28
Rot. Bonds7

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 56765470) has the molecular formula C20H22F3NO4S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID56765470
Molecular FormulaC20H22F3NO4S
Molecular Weight429.46 g/mol
Exact Mass429.12
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO4S/c1-13(2)29(27,28)17-9-3-14(4-10-17)11-19(26)24-12-18(25)15-5-7-16(8-6-15)20(21,22)23/h3-10,13,18,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyHGPXGRVZHACACF-UHFFFAOYSA-N
XLogP3.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 56765470) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is HGPXGRVZHACACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO4S/c1-13(2)29(27,28)17-9-3-14(4-10-17)11-19(26)24-12-18(25)15-5-7-16(8-6-15)20(21,22)23/h3-10,13,18,25H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 429.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 56765470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).