2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide

C21H26N2O5S — CID 27636830

IUPAC2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccccc3OC)cc21
InChIInChI=1S/C21H26N2O5S/c1-3-13-29(25,26)23-12-6-7-16-10-11-17(14-18(16)23)22-21(24)15-28-20-9-5-4-8-19(20)27-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyVPZULGIGVXDVPI-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.21
Rot. Bonds8

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

2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide (PubChem CID 27636830) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
PubChem CID27636830
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccccc3OC)cc21
InChIInChI=1S/C21H26N2O5S/c1-3-13-29(25,26)23-12-6-7-16-10-11-17(14-18(16)23)22-21(24)15-28-20-9-5-4-8-19(20)27-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyVPZULGIGVXDVPI-UHFFFAOYSA-N
XLogP3.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 7517220
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
2-(2-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517535
1-(2-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386154
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
CID 16835405
2-(2,4-dichlorophenoxy)-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835478
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide (CID 27636830) is 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide is CCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccccc3OC)cc21.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The InChIKey is VPZULGIGVXDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-13-29(25,26)23-12-6-7-16-10-11-17(14-18(16)23)22-21(24)15-28-20-9-5-4-8-19(20)27-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide is sourced from PubChem (CID 27636830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).