3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide

C26H28N2O4S — CID 55599190

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide
SMILESCCOCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C26H28N2O4S/c1-2-32-19-23-11-4-3-10-22(23)18-27-26(29)21-12-7-14-24(17-21)33(30,31)28-16-8-13-20-9-5-6-15-25(20)28/h3-7,9-12,14-15,17H,2,8,13,16,18-19H2,1H3,(H,27,29)
InChIKeyOIRPHCFAUDPHEZ-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.29
Rot. Bonds8

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide (PubChem CID 55599190) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide
PubChem CID55599190
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide
SMILESCCOCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C26H28N2O4S/c1-2-32-19-23-11-4-3-10-22(23)18-27-26(29)21-12-7-14-24(17-21)33(30,31)28-16-8-13-20-9-5-6-15-25(20)28/h3-7,9-12,14-15,17H,2,8,13,16,18-19H2,1H3,(H,27,29)
InChIKeyOIRPHCFAUDPHEZ-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731232
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 154770859
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 3997114
(2-benzamido-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 55314509
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 78867799
methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612592
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 51134120
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415750
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241457

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide (CID 55599190) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide is CCOCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide?
The InChIKey is OIRPHCFAUDPHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-2-32-19-23-11-4-3-10-22(23)18-27-26(29)21-12-7-14-24(17-21)33(30,31)28-16-8-13-20-9-5-6-15-25(20)28/h3-7,9-12,14-15,17H,2,8,13,16,18-19H2,1H3,(H,27,29).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55599190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).