3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide

C24H24N2O4S — CID 51134120

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(O)c1
InChIInChI=1S/C24H24N2O4S/c1-17(19-8-4-11-21(27)15-19)25-24(28)20-9-5-12-22(16-20)31(29,30)26-14-6-10-18-7-2-3-13-23(18)26/h2-5,7-9,11-13,15-17,27H,6,10,14H2,1H3,(H,25,28)
InChIKeyMWBQRSBJUWWNMD-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.02
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide (PubChem CID 51134120) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
PubChem CID51134120
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(O)c1
InChIInChI=1S/C24H24N2O4S/c1-17(19-8-4-11-21(27)15-19)25-24(28)20-9-5-12-22(16-20)31(29,30)26-14-6-10-18-7-2-3-13-23(18)26/h2-5,7-9,11-13,15-17,27H,6,10,14H2,1H3,(H,25,28)
InChIKeyMWBQRSBJUWWNMD-UHFFFAOYSA-N
XLogP4.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2642182
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 154770859
methyl (2R)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-3-hydroxypropanoate
CID 9277502
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134057952
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[[2-(ethoxymethyl)phenyl]methyl]benzamide
CID 55599190
3-(azepan-1-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190863
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
3-morpholin-4-ylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886460
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 24981846

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide (CID 51134120) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(O)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The InChIKey is MWBQRSBJUWWNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17(19-8-4-11-21(27)15-19)25-24(28)20-9-5-12-22(16-20)31(29,30)26-14-6-10-18-7-2-3-13-23(18)26/h2-5,7-9,11-13,15-17,27H,6,10,14H2,1H3,(H,25,28).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 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-[1-(3-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 51134120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).