N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide

C25H23ClFNO4S — CID 118456151

IUPACN-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3(c4ccc(Cl)c(F)c4)CC3)cc2)cc1
InChIInChI=1S/C25H23ClFNO4S/c1-2-33(30,31)21-10-3-17(4-11-21)15-24(29)28-19-6-8-20(9-7-19)32-25(13-14-25)18-5-12-22(26)23(27)16-18/h3-12,16H,2,13-15H2,1H3,(H,28,29)
InChIKeyYJPWOABVBUNLCT-UHFFFAOYSA-N
MW487.98 g/mol
LogP5.52
Rot. Bonds8

About N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118456151) has the molecular formula C25H23ClFNO4S and a molecular weight of 487.98 g/mol. Its IUPAC name is N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118456151
Molecular FormulaC25H23ClFNO4S
Molecular Weight487.98 g/mol
Exact Mass487.10
IUPAC NameN-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3(c4ccc(Cl)c(F)c4)CC3)cc2)cc1
InChIInChI=1S/C25H23ClFNO4S/c1-2-33(30,31)21-10-3-17(4-11-21)15-24(29)28-19-6-8-20(9-7-19)32-25(13-14-25)18-5-12-22(26)23(27)16-18/h3-12,16H,2,13-15H2,1H3,(H,28,29)
InChIKeyYJPWOABVBUNLCT-UHFFFAOYSA-N
XLogP5.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.98
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(4-chloro-3-fluorophenyl)cyclohexyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455884
N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455928
1-[4-[1-(4-chloro-3-fluorophenyl)cyclohexyl]oxyphenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 148846135
1-[4-[1-(4-chloro-2-fluorophenyl)cyclopropyl]oxyphenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 161385146
N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 144946627
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138
N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395806
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[3-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122622702
N-[4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196894

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 118456151) is N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC3(c4ccc(Cl)c(F)c4)CC3)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is YJPWOABVBUNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFNO4S/c1-2-33(30,31)21-10-3-17(4-11-21)15-24(29)28-19-6-8-20(9-7-19)32-25(13-14-25)18-5-12-22(26)23(27)16-18/h3-12,16H,2,13-15H2,1H3,(H,28,29).
What are the key properties of N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 487.98 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118456151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).