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

C17H18FNO2S — CID 94815587

IUPACN-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C17H18FNO2S/c18-15-9-5-4-8-14(15)10-19-17(21)12-22-11-16(20)13-6-2-1-3-7-13/h1-9,16,20H,10-12H2,(H,19,21)/t16-/m1/s1
InChIKeyDJRGXNORIZENAN-MRXNPFEDSA-N
MW319.40 g/mol
LogP2.91
Rot. Bonds7

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

N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide (PubChem CID 94815587) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
PubChem CID94815587
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESO=C(CSC[C@@H](O)c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C17H18FNO2S/c18-15-9-5-4-8-14(15)10-19-17(21)12-22-11-16(20)13-6-2-1-3-7-13/h1-9,16,20H,10-12H2,(H,19,21)/t16-/m1/s1
InChIKeyDJRGXNORIZENAN-MRXNPFEDSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142220
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 66219214
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94808913
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
CID 47443078
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
tert-butyl N-[2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84557447

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide (CID 94815587) is N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide is O=C(CSC[C@@H](O)c1ccccc1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The InChIKey is DJRGXNORIZENAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-15-9-5-4-8-14(15)10-19-17(21)12-22-11-16(20)13-6-2-1-3-7-13/h1-9,16,20H,10-12H2,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide has a molecular weight of 319.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 94815587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).