2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C26H28N2O5S — CID 43873374

IUPAC2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O5S/c1-19(23-10-4-6-12-25(23)32-2)27-26(29)18-33-21-13-15-22(16-14-21)34(30,31)28-17-7-9-20-8-3-5-11-24(20)28/h3-6,8,10-16,19H,7,9,17-18H2,1-2H3,(H,27,29)
InChIKeyBHLOXKVJKMHTRQ-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.09
Rot. Bonds8

About 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 43873374) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID43873374
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O5S/c1-19(23-10-4-6-12-25(23)32-2)27-26(29)18-33-21-13-15-22(16-14-21)34(30,31)28-17-7-9-20-8-3-5-11-24(20)28/h3-6,8,10-16,19H,7,9,17-18H2,1-2H3,(H,27,29)
InChIKeyBHLOXKVJKMHTRQ-UHFFFAOYSA-N
XLogP4.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401935
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552177
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553756
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873588
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 28554611
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553982
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 28557583
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 43873374) is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is BHLOXKVJKMHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-19(23-10-4-6-12-25(23)32-2)27-26(29)18-33-21-13-15-22(16-14-21)34(30,31)28-17-7-9-20-8-3-5-11-24(20)28/h3-6,8,10-16,19H,7,9,17-18H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 480.59 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).