N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide

C17H19FN2OS — CID 35811388

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
SMILESCSc1ccccc1NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-22-16-5-3-2-4-15(16)20-12-17(21)19-11-10-13-6-8-14(18)9-7-13/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyZEPSTMDQFWBZFO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.32
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide (PubChem CID 35811388) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
PubChem CID35811388
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
SMILESCSc1ccccc1NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-22-16-5-3-2-4-15(16)20-12-17(21)19-11-10-13-6-8-14(18)9-7-13/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyZEPSTMDQFWBZFO-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 33161527
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
CID 109024992
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 2681293
2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide (CID 35811388) is N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide is CSc1ccccc1NCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
The InChIKey is ZEPSTMDQFWBZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-22-16-5-3-2-4-15(16)20-12-17(21)19-11-10-13-6-8-14(18)9-7-13/h2-9,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide is sourced from PubChem (CID 35811388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).