2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide

C18H20FNO2S — CID 38019493

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CSCc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(2)22-17-5-3-4-16(10-17)20-18(21)12-23-11-14-6-8-15(19)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyXPIXQICUXHRBMP-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.48
Rot. Bonds7

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 38019493) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID38019493
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CSCc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(2)22-17-5-3-4-16(10-17)20-18(21)12-23-11-14-6-8-15(19)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyXPIXQICUXHRBMP-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
1-[(4-fluorophenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100635319
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55825043
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 47023736
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide (CID 38019493) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(NC(=O)CSCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is XPIXQICUXHRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13(2)22-17-5-3-4-16(10-17)20-18(21)12-23-11-14-6-8-15(19)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 38019493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).