N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide

C26H25F2NO4S — CID 118455928

IUPACN-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3(c4ccc(F)c(F)c4)CCC3)cc2)cc1
InChIInChI=1S/C26H25F2NO4S/c1-2-34(31,32)22-11-4-18(5-12-22)16-25(30)29-20-7-9-21(10-8-20)33-26(14-3-15-26)19-6-13-23(27)24(28)17-19/h4-13,17H,2-3,14-16H2,1H3,(H,29,30)
InChIKeyFPJXIJQWUAPAPB-UHFFFAOYSA-N
MW485.55 g/mol
LogP5.40
Rot. Bonds8

About N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118455928) has the molecular formula C26H25F2NO4S and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118455928
Molecular FormulaC26H25F2NO4S
Molecular Weight485.55 g/mol
Exact Mass485.15
IUPAC NameN-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3(c4ccc(F)c(F)c4)CCC3)cc2)cc1
InChIInChI=1S/C26H25F2NO4S/c1-2-34(31,32)22-11-4-18(5-12-22)16-25(30)29-20-7-9-21(10-8-20)33-26(14-3-15-26)19-6-13-23(27)24(28)17-19/h4-13,17H,2-3,14-16H2,1H3,(H,29,30)
InChIKeyFPJXIJQWUAPAPB-UHFFFAOYSA-N
XLogP5.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(4-chloro-3-fluorophenyl)cyclohexyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455884
N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456151
1-[4-[1-(4-chloro-3-fluorophenyl)cyclohexyl]oxyphenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 148846135
N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 144946627
N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395806
1-[4-[1-(4-chloro-2-fluorophenyl)cyclopropyl]oxyphenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 161385146
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
CID 81171823
N-[4-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232101
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55361465

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 118455928) is N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3(c4ccc(F)c(F)c4)CCC3)cc2)cc1.
What is the InChIKey of N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is FPJXIJQWUAPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO4S/c1-2-34(31,32)22-11-4-18(5-12-22)16-25(30)29-20-7-9-21(10-8-20)33-26(14-3-15-26)19-6-13-23(27)24(28)17-19/h4-13,17H,2-3,14-16H2,1H3,(H,29,30).
What are the key properties of N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 485.55 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118455928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).