2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

C25H26N2O6S — CID 27443582

IUPAC2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)COc4ccccc4OC)ccc32)cc1
InChIInChI=1S/C25H26N2O6S/c1-31-20-10-12-21(13-11-20)34(29,30)27-15-5-6-18-16-19(9-14-22(18)27)26-25(28)17-33-24-8-4-3-7-23(24)32-2/h3-4,7-14,16H,5-6,15,17H2,1-2H3,(H,26,28)
InChIKeyPVEKZTODJVNSLI-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.86
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 27443582) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID27443582
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)COc4ccccc4OC)ccc32)cc1
InChIInChI=1S/C25H26N2O6S/c1-31-20-10-12-21(13-11-20)34(29,30)27-15-5-6-18-16-19(9-14-22(18)27)26-25(28)17-33-24-8-4-3-7-23(24)32-2/h3-4,7-14,16H,5-6,15,17H2,1-2H3,(H,26,28)
InChIKeyPVEKZTODJVNSLI-UHFFFAOYSA-N
XLogP3.86
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 27443582) is 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)COc4ccccc4OC)ccc32)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is PVEKZTODJVNSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-31-20-10-12-21(13-11-20)34(29,30)27-15-5-6-18-16-19(9-14-22(18)27)26-25(28)17-33-24-8-4-3-7-23(24)32-2/h3-4,7-14,16H,5-6,15,17H2,1-2H3,(H,26,28).
What are the key properties of 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 482.56 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 27443582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).