N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide

C16H15ClFNO2S — CID 110007033

IUPACN-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(CO)cc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2S/c17-13-5-6-14(18)15(7-13)19-16(21)10-22-9-12-3-1-11(8-20)2-4-12/h1-7,20H,8-10H2,(H,19,21)
InChIKeyRQNJFFGUILHHAN-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.84
Rot. Bonds6

About N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide

N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 110007033) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
PubChem CID110007033
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(CO)cc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2S/c17-13-5-6-14(18)15(7-13)19-16(21)10-22-9-12-3-1-11(8-20)2-4-12/h1-7,20H,8-10H2,(H,19,21)
InChIKeyRQNJFFGUILHHAN-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 55532780
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94808913
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide (CID 110007033) is N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide is O=C(CSCc1ccc(CO)cc1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is RQNJFFGUILHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c17-13-5-6-14(18)15(7-13)19-16(21)10-22-9-12-3-1-11(8-20)2-4-12/h1-7,20H,8-10H2,(H,19,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 339.82 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 110007033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).