N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide

C16H15ClFNO2S — CID 94808913

IUPACN-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2S/c17-12-6-7-13(18)14(8-12)19-16(21)10-22-9-15(20)11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,19,21)/t15-/m1/s1
InChIKeyHZYBMEDNAQYDMP-OAHLLOKOSA-N
MW339.82 g/mol
LogP3.88
Rot. Bonds6

About N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide

N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide (PubChem CID 94808913) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
PubChem CID94808913
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2S/c17-12-6-7-13(18)14(8-12)19-16(21)10-22-9-15(20)11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,19,21)/t15-/m1/s1
InChIKeyHZYBMEDNAQYDMP-OAHLLOKOSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 93031211
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
N-(5-chloro-2-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007033
N-(5-chloro-2-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537256
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 94806128
N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94209967
N-(4-chloro-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66103783
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
4-chloro-2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid
CID 17341374

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide (CID 94808913) is N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide is O=C(CSC[C@@H](O)c1ccccc1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The InChIKey is HZYBMEDNAQYDMP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c17-12-6-7-13(18)14(8-12)19-16(21)10-22-9-15(20)11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,19,21)/t15-/m1/s1.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide has a molecular weight of 339.82 g/mol, XLogP of 3.88, 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-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 94808913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).