N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide

C24H17Cl3N2O2S — CID 23819705

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C24H17Cl3N2O2S/c1-14-6-11-17-18(26)12-19(27)24(23(17)28-14)31-13-22(30)29-20-4-2-3-5-21(20)32-16-9-7-15(25)8-10-16/h2-12H,13H2,1H3,(H,29,30)
InChIKeyMICLHOAOKONHDX-UHFFFAOYSA-N
MW503.84 g/mol
LogP7.67
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide (PubChem CID 23819705) has the molecular formula C24H17Cl3N2O2S and a molecular weight of 503.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
PubChem CID23819705
Molecular FormulaC24H17Cl3N2O2S
Molecular Weight503.84 g/mol
Exact Mass502.01
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C24H17Cl3N2O2S/c1-14-6-11-17-18(26)12-19(27)24(23(17)28-14)31-13-22(30)29-20-4-2-3-5-21(20)32-16-9-7-15(25)8-10-16/h2-12H,13H2,1H3,(H,29,30)
InChIKeyMICLHOAOKONHDX-UHFFFAOYSA-N
XLogP7.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.84
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 2431077
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenoxyphenyl)acetamide
CID 23908018
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 23878377
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 7997855
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-2-phenylacetamide
CID 16568919
[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 16544235
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]benzamide
CID 16569547
(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 2536958
N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 4590286
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 2-chlorobenzoate
CID 4854500
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(ethylcarbamoyl)acetamide
CID 2628295

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide (CID 23819705) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)c2n1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
The InChIKey is MICLHOAOKONHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3N2O2S/c1-14-6-11-17-18(26)12-19(27)24(23(17)28-14)31-13-22(30)29-20-4-2-3-5-21(20)32-16-9-7-15(25)8-10-16/h2-12H,13H2,1H3,(H,29,30).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide has a molecular weight of 503.84 g/mol, XLogP of 7.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 23819705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).