N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C25H25ClFNO4S — CID 118456138

IUPACN-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C25H25ClFNO4S/c1-4-33(30,31)21-12-5-17(6-13-21)15-24(29)28-19-8-10-20(11-9-19)32-25(2,3)22-14-7-18(27)16-23(22)26/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChIKeyYYGQEGJMAJTMQC-UHFFFAOYSA-N
MW490.00 g/mol
LogP5.77
Rot. Bonds8

About N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118456138) has the molecular formula C25H25ClFNO4S and a molecular weight of 490.00 g/mol. Its IUPAC name is N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118456138
Molecular FormulaC25H25ClFNO4S
Molecular Weight490.00 g/mol
Exact Mass489.12
IUPAC NameN-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C25H25ClFNO4S/c1-4-33(30,31)21-12-5-17(6-13-21)15-24(29)28-19-8-10-20(11-9-19)32-25(2,3)22-14-7-18(27)16-23(22)26/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChIKeyYYGQEGJMAJTMQC-UHFFFAOYSA-N
XLogP5.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.00
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2,4-difluorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456129
N-[3-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122622702
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456151
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
N-[3,5-difluoro-4-[4-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71506775
N-[4-[1-(4-chloro-3-fluorophenyl)cyclohexyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455884
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55759108
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
CID 146092760

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 118456138) is N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(F)cc3Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is YYGQEGJMAJTMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFNO4S/c1-4-33(30,31)21-12-5-17(6-13-21)15-24(29)28-19-8-10-20(11-9-19)32-25(2,3)22-14-7-18(27)16-23(22)26/h5-14,16H,4,15H2,1-3H3,(H,28,29).
What are the key properties of N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 490.00 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118456138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).