2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

C18H18N2O4S — CID 55611728

IUPAC2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H18N2O4S/c1-11-3-6-14(25(2,23)24)10-15(11)18(22)19-13-5-7-16-12(9-13)4-8-17(21)20-16/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySHKTZKCNDQPYNP-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.54
Rot. Bonds3

About 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (PubChem CID 55611728) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
PubChem CID55611728
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H18N2O4S/c1-11-3-6-14(25(2,23)24)10-15(11)18(22)19-13-5-7-16-12(9-13)4-8-17(21)20-16/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySHKTZKCNDQPYNP-UHFFFAOYSA-N
XLogP2.54
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27555740
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (CID 55611728) is 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The InChIKey is SHKTZKCNDQPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-3-6-14(25(2,23)24)10-15(11)18(22)19-13-5-7-16-12(9-13)4-8-17(21)20-16/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is sourced from PubChem (CID 55611728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).