2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide

C19H20Cl2N2O4S — CID 16835478

IUPAC2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21
InChIInChI=1S/C19H20Cl2N2O4S/c1-2-28(25,26)23-9-3-4-13-5-7-15(11-17(13)23)22-19(24)12-27-18-8-6-14(20)10-16(18)21/h5-8,10-11H,2-4,9,12H2,1H3,(H,22,24)
InChIKeyADWLHOQPNPCMKA-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.11
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide (PubChem CID 16835478) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
PubChem CID16835478
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21
InChIInChI=1S/C19H20Cl2N2O4S/c1-2-28(25,26)23-9-3-4-13-5-7-15(11-17(13)23)22-19(24)12-27-18-8-6-14(20)10-16(18)21/h5-8,10-11H,2-4,9,12H2,1H3,(H,22,24)
InChIKeyADWLHOQPNPCMKA-UHFFFAOYSA-N
XLogP4.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830
2-(2,4-dichlorophenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498754
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
CID 27656037
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
2-(2,4-dichlorophenoxy)-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone
CID 7541316
2-(2,4-dichlorophenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 5024260
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide (CID 16835478) is 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide is CCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The InChIKey is ADWLHOQPNPCMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-2-28(25,26)23-9-3-4-13-5-7-15(11-17(13)23)22-19(24)12-27-18-8-6-14(20)10-16(18)21/h5-8,10-11H,2-4,9,12H2,1H3,(H,22,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide has a molecular weight of 443.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide is sourced from PubChem (CID 16835478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).