N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen

C20H24N2O2S — CID 176970197

IUPACN-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen
SMILESCCc1ccc(S(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)c(C)c1.[H][H]
InChIInChI=1S/C20H22N2O2S.H2/c1-5-15-6-9-19(13(2)10-15)25(24)21-17-7-8-18-16(12-17)11-14(3)20(23)22(18)4;/h6-12,21H,5H2,1-4H3;1H
InChIKeyRRYCBCZYLQGBAY-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.10
Rot. Bonds4

About N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen

N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen (PubChem CID 176970197) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen
PubChem CID176970197
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen
SMILESCCc1ccc(S(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)c(C)c1.[H][H]
InChIInChI=1S/C20H22N2O2S.H2/c1-5-15-6-9-19(13(2)10-15)25(24)21-17-7-8-18-16(12-17)11-14(3)20(23)22(18)4;/h6-12,21H,5H2,1-4H3;1H
InChIKeyRRYCBCZYLQGBAY-UHFFFAOYSA-N
XLogP4.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-dimethyl-2-oxoquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608762
N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfinamide
CID 90829292
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933132
1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide
CID 167990386
N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249288
4-[(1,3-dimethyl-2-oxoquinolin-6-yl)amino]sulfanyl-3-propan-2-ylbenzonitrile
CID 176970108
5-ethyl-1-methyl-2-(trifluoromethyl)indole
CID 84625236
N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide
CID 166336635
4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride
CID 176665813
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521
2-ethyl-1-methyl-4-(sulfinatoamino)benzene
CID 156579228
2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid
CID 84637675

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen?
The IUPAC name of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen (CID 176970197) is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen?
The canonical SMILES for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen is CCc1ccc(S(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)c(C)c1.[H][H].
What is the InChIKey of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen?
The InChIKey is RRYCBCZYLQGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S.H2/c1-5-15-6-9-19(13(2)10-15)25(24)21-17-7-8-18-16(12-17)11-14(3)20(23)22(18)4;/h6-12,21H,5H2,1-4H3;1H.
What are the key properties of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen?
N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen has a molecular weight of 356.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-4-ethyl-2-methylbenzenesulfinamide;molecular hydrogen is sourced from PubChem (CID 176970197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).