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

C25H25Cl2NO2S — CID 123763842

IUPACN-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C25H25Cl2NO2S/c1-4-31-21-12-5-17(6-13-21)15-24(29)28-19-8-10-20(11-9-19)30-25(2,3)22-14-7-18(26)16-23(22)27/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChIKeyLCYHZOTTZMBGTE-UHFFFAOYSA-N
MW474.45 g/mol
LogP7.60
Rot. Bonds8

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

N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 123763842) has the molecular formula C25H25Cl2NO2S and a molecular weight of 474.45 g/mol. Its IUPAC name is N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID123763842
Molecular FormulaC25H25Cl2NO2S
Molecular Weight474.45 g/mol
Exact Mass473.10
IUPAC NameN-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C25H25Cl2NO2S/c1-4-31-21-12-5-17(6-13-21)15-24(29)28-19-8-10-20(11-9-19)30-25(2,3)22-14-7-18(26)16-23(22)27/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChIKeyLCYHZOTTZMBGTE-UHFFFAOYSA-N
XLogP7.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196889
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138
N-[4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196894
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
CID 145232045
methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
CID 145232207
N-[3-(3-chloro-4-fluorophenoxy)-4-(2-methylazet-1-ium-1-yl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123511822
2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22779193
N-[4-[4-(3,4-difluorophenyl)oxan-4-yl]oxyphenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 144946627

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide (CID 123763842) is N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is LCYHZOTTZMBGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2NO2S/c1-4-31-21-12-5-17(6-13-21)15-24(29)28-19-8-10-20(11-9-19)30-25(2,3)22-14-7-18(26)16-23(22)27/h5-14,16H,4,15H2,1-3H3,(H,28,29).
What are the key properties of N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 474.45 g/mol, XLogP of 7.60, 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]phenyl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 123763842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).