N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide

C25H26N2O5S — CID 16835405

IUPACN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)COc4ccccc4C)cc32)cc1
InChIInChI=1S/C25H26N2O5S/c1-18-6-3-4-8-24(18)32-17-25(28)26-20-10-9-19-7-5-15-27(23(19)16-20)33(29,30)22-13-11-21(31-2)12-14-22/h3-4,6,8-14,16H,5,7,15,17H2,1-2H3,(H,26,28)
InChIKeyGNGILVJLIBYNDK-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.16
Rot. Bonds7

About N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide

N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 16835405) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
PubChem CID16835405
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)COc4ccccc4C)cc32)cc1
InChIInChI=1S/C25H26N2O5S/c1-18-6-3-4-8-24(18)32-17-25(28)26-20-10-9-19-7-5-15-27(23(19)16-20)33(29,30)22-13-11-21(31-2)12-14-22/h3-4,6,8-14,16H,5,7,15,17H2,1-2H3,(H,26,28)
InChIKeyGNGILVJLIBYNDK-UHFFFAOYSA-N
XLogP4.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]cyclopentanecarboxamide
CID 16825810
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide (CID 16835405) is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide is COc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)COc4ccccc4C)cc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is GNGILVJLIBYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-18-6-3-4-8-24(18)32-17-25(28)26-20-10-9-19-7-5-15-27(23(19)16-20)33(29,30)22-13-11-21(31-2)12-14-22/h3-4,6,8-14,16H,5,7,15,17H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide?
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 466.56 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 16835405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).