N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide

C17H16F3NO2S — CID 71803819

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCSc1ccc(C(O)CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c1-24-12-8-6-11(7-9-12)15(22)10-21-16(23)13-4-2-3-5-14(13)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyBVDDIMJDPAVORQ-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.89
Rot. Bonds5

About N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 71803819) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID71803819
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCSc1ccc(C(O)CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c1-24-12-8-6-11(7-9-12)15(22)10-21-16(23)13-4-2-3-5-14(13)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyBVDDIMJDPAVORQ-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide (CID 71803819) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide is CSc1ccc(C(O)CNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BVDDIMJDPAVORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-24-12-8-6-11(7-9-12)15(22)10-21-16(23)13-4-2-3-5-14(13)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23).
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 355.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71803819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).