N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide

C27H27F2NO3S — CID 144946627

IUPACN-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(OC3(c4ccc(F)c(F)c4)CCOCC3)cc2)cc1
InChIInChI=1S/C27H27F2NO3S/c1-2-34-23-10-3-19(4-11-23)17-26(31)30-21-6-8-22(9-7-21)33-27(13-15-32-16-14-27)20-5-12-24(28)25(29)18-20/h3-12,18H,2,13-17H2,1H3,(H,30,31)
InChIKeyQGNZFRTZIUFNBR-UHFFFAOYSA-N
MW483.58 g/mol
LogP6.34
Rot. Bonds8

About N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide

N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 144946627) has the molecular formula C27H27F2NO3S and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID144946627
Molecular FormulaC27H27F2NO3S
Molecular Weight483.58 g/mol
Exact Mass483.17
IUPAC NameN-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(OC3(c4ccc(F)c(F)c4)CCOCC3)cc2)cc1
InChIInChI=1S/C27H27F2NO3S/c1-2-34-23-10-3-19(4-11-23)17-26(31)30-21-6-8-22(9-7-21)33-27(13-15-32-16-14-27)20-5-12-24(28)25(29)18-20/h3-12,18H,2,13-17H2,1H3,(H,30,31)
InChIKeyQGNZFRTZIUFNBR-UHFFFAOYSA-N
XLogP6.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196894
N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232101
N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455928
N-[4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyphenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126720308
N-[4-[3-(2,4-dimethylphenyl)oxetan-3-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 163623957
N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456151
N-[4-[1-(4-chloro-3-fluorophenyl)cyclohexyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455884
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842
2-(4-ethylsulfanylphenyl)-N-[4-[1-(1H-pyrazol-4-ylsulfanyl)cyclopropyl]phenyl]acetamide
CID 145231975
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
N-[6-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]oxy-1,2-dihydropyridin-3-yl]-2-(4-ethylsulfinylphenyl)acetamide
CID 118461718

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide (CID 144946627) is N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2ccc(OC3(c4ccc(F)c(F)c4)CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is QGNZFRTZIUFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2NO3S/c1-2-34-23-10-3-19(4-11-23)17-26(31)30-21-6-8-22(9-7-21)33-27(13-15-32-16-14-27)20-5-12-24(28)25(29)18-20/h3-12,18H,2,13-17H2,1H3,(H,30,31).
What are the key properties of N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 483.58 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 144946627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).