2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide

C13H18FNOS — CID 60540976

IUPAC2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSC(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNOS/c1-3-8-15-13(16)9-17-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyZCQIVUYVWSBFEP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.15
Rot. Bonds6

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

2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide (PubChem CID 60540976) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
PubChem CID60540976
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSC(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNOS/c1-3-8-15-13(16)9-17-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyZCQIVUYVWSBFEP-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide
CID 94217661
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134021325
2-[2-amino-1-(4-chlorophenyl)ethyl]sulfanyl-N-propylacetamide
CID 114233402
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
CID 8733653
2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94038397
2-[2-fluoro-6-[(1R)-1-hydroxyethyl]phenyl]sulfanyl-N-propylacetamide
CID 114234831
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 47023736
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide
CID 115659660
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
CID 55583835

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide (CID 60540976) is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide is CCCNC(=O)CSC(C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide?
The InChIKey is ZCQIVUYVWSBFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-3-8-15-13(16)9-17-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide?
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide has a molecular weight of 255.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide is sourced from PubChem (CID 60540976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).