2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide

C16H15ClFNO2S — CID 110888960

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2S/c17-12-3-7-14(8-4-12)22-10-16(21)19-9-15(20)11-1-5-13(18)6-2-11/h1-8,15,20H,9-10H2,(H,19,21)
InChIKeyNCARRNSRZJRZPH-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.42
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 110888960) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID110888960
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2S/c17-12-3-7-14(8-4-12)22-10-16(21)19-9-15(20)11-1-5-13(18)6-2-11/h1-8,15,20H,9-10H2,(H,19,21)
InChIKeyNCARRNSRZJRZPH-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 71803695
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(2,5-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110910978
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 129373664
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781686
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide (CID 110888960) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide is O=C(CSc1ccc(Cl)cc1)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is NCARRNSRZJRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c17-12-3-7-14(8-4-12)22-10-16(21)19-9-15(20)11-1-5-13(18)6-2-11/h1-8,15,20H,9-10H2,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 339.82 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 110888960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).