N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide

C26H26N2O4S — CID 55872402

IUPACN-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O4S/c1-33(31,32)22-14-15-24-21(17-22)13-8-16-28(24)25(29)18-23(19-9-4-2-5-10-19)27-26(30)20-11-6-3-7-12-20/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3,(H,27,30)
InChIKeyKMSPWYFJQXHFAJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.93
Rot. Bonds6

About N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide

N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55872402) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID55872402
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O4S/c1-33(31,32)22-14-15-24-21(17-22)13-8-16-28(24)25(29)18-23(19-9-4-2-5-10-19)27-26(30)20-11-6-3-7-12-20/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3,(H,27,30)
InChIKeyKMSPWYFJQXHFAJ-UHFFFAOYSA-N
XLogP3.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 166206936
2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55873557
[4-(benzenesulfonylmethyl)phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873828
2-(2-tert-butylphenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661331
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
(E)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 55661641
N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide
CID 55433799
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46817528
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide (CID 55872402) is N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is KMSPWYFJQXHFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-33(31,32)22-14-15-24-21(17-22)13-8-16-28(24)25(29)18-23(19-9-4-2-5-10-19)27-26(30)20-11-6-3-7-12-20/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3,(H,27,30).
What are the key properties of N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55872402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).