N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide

C16H15F2NO2S — CID 110885178

IUPACN-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-10(20)19-12-3-5-13(6-4-12)22-9-16(21)14-7-2-11(17)8-15(14)18/h2-8,16,21H,9H2,1H3,(H,19,20)
InChIKeyQLCMZWOGLUQJIW-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.75
Rot. Bonds5

About N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide

N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide (PubChem CID 110885178) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide
PubChem CID110885178
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC NameN-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-10(20)19-12-3-5-13(6-4-12)22-9-16(21)14-7-2-11(17)8-15(14)18/h2-8,16,21H,9H2,1H3,(H,19,20)
InChIKeyQLCMZWOGLUQJIW-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
CID 64649554
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide (CID 110885178) is N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide?
The InChIKey is QLCMZWOGLUQJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-10(20)19-12-3-5-13(6-4-12)22-9-16(21)14-7-2-11(17)8-15(14)18/h2-8,16,21H,9H2,1H3,(H,19,20).
What are the key properties of N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide?
N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 110885178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).