N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide

C16H16FNO2S — CID 124506824

IUPACN-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c17-13-8-6-12(7-9-13)15(19)10-18-16(20)11-21-14-4-2-1-3-5-14/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyYBVVLWVNGRDSAB-HNNXBMFYSA-N
MW305.37 g/mol
LogP2.77
Rot. Bonds6

About N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide

N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide (PubChem CID 124506824) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
PubChem CID124506824
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c17-13-8-6-12(7-9-13)15(19)10-18-16(20)11-21-14-4-2-1-3-5-14/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyYBVVLWVNGRDSAB-HNNXBMFYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 71803695
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 129373664
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 71989458
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781686
2-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569219

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide (CID 124506824) is N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC[C@H](O)c1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
The InChIKey is YBVVLWVNGRDSAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-13-8-6-12(7-9-13)15(19)10-18-16(20)11-21-14-4-2-1-3-5-14/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide has a molecular weight of 305.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 124506824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).