N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide

C25H24Cl2FNO2S — CID 145196889

IUPACN-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1
InChIInChI=1S/C25H24Cl2FNO2S/c1-4-32-19-9-5-16(6-10-19)13-24(30)29-18-8-12-23(22(28)15-18)31-25(2,3)20-11-7-17(26)14-21(20)27/h5-12,14-15H,4,13H2,1-3H3,(H,29,30)
InChIKeyCDARXJLTYHBHGM-UHFFFAOYSA-N
MW492.44 g/mol
LogP7.74
Rot. Bonds8

About N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide

N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 145196889) has the molecular formula C25H24Cl2FNO2S and a molecular weight of 492.44 g/mol. Its IUPAC name is N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID145196889
Molecular FormulaC25H24Cl2FNO2S
Molecular Weight492.44 g/mol
Exact Mass491.09
IUPAC NameN-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1
InChIInChI=1S/C25H24Cl2FNO2S/c1-4-32-19-9-5-16(6-10-19)13-24(30)29-18-8-12-23(22(28)15-18)31-25(2,3)20-11-7-17(26)14-21(20)27/h5-12,14-15H,4,13H2,1-3H3,(H,29,30)
InChIKeyCDARXJLTYHBHGM-UHFFFAOYSA-N
XLogP7.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.44
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842
2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
CID 145232045
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
N-[4-[2-(2,4-difluorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456129
N-[4-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232132
N-[4-[2-(5-chloro-1-ethylbenzimidazol-2-yl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126720320
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
N-[3-(3-chloro-4-fluorophenoxy)-4-(2-methylazet-1-ium-1-yl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123511822
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138
methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
CID 145232207
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-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide (CID 145196889) is N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1.
What is the InChIKey of N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is CDARXJLTYHBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FNO2S/c1-4-32-19-9-5-16(6-10-19)13-24(30)29-18-8-12-23(22(28)15-18)31-25(2,3)20-11-7-17(26)14-21(20)27/h5-12,14-15H,4,13H2,1-3H3,(H,29,30).
What are the key properties of N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 492.44 g/mol, XLogP of 7.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 145196889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).