N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide

C17H18FNOS — CID 78792083

IUPACN-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCc1ccccc1F
InChIInChI=1S/C17H18FNOS/c18-16-9-5-4-6-14(16)10-12-19-17(20)11-13-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20)
InChIKeyIGNDZYWDMFGHKD-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide

N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 78792083) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
PubChem CID78792083
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCc1ccccc1F
InChIInChI=1S/C17H18FNOS/c18-16-9-5-4-6-14(16)10-12-19-17(20)11-13-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20)
InChIKeyIGNDZYWDMFGHKD-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 94871823
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
N-but-3-ynyl-3-phenylsulfanylpropanamide
CID 90537944
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide (CID 78792083) is N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is IGNDZYWDMFGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c18-16-9-5-4-6-14(16)10-12-19-17(20)11-13-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide?
N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 78792083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).