2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide

C17H18FNOS — CID 55913610

IUPAC2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC(C)c2ccccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-12-7-9-14(10-8-12)19-17(20)11-21-13(2)15-5-3-4-6-16(15)18/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyCIQADVLTALAFSQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.57
Rot. Bonds5

About 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide

2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 55913610) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID55913610
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC(C)c2ccccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-12-7-9-14(10-8-12)19-17(20)11-21-13(2)15-5-3-4-6-16(15)18/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyCIQADVLTALAFSQ-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 94806127
2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 94812447
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 47102669
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
N-(3,5-difluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 134061510
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 78781372
2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95316732
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
CID 7509866
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide (CID 55913610) is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSC(C)c2ccccc2F)cc1.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is CIQADVLTALAFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12-7-9-14(10-8-12)19-17(20)11-21-13(2)15-5-3-4-6-16(15)18/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 303.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 55913610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).