2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

C20H22N2O3S — CID 110325922

IUPAC2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-7-18-17(10-13)12-16(20(23)22-18)8-9-21-26(24,25)19-11-14(2)4-6-15(19)3/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,23)
InChIKeyCBNCCFKLOCXJMY-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.97
Rot. Bonds5

About 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (PubChem CID 110325922) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
PubChem CID110325922
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-7-18-17(10-13)12-16(20(23)22-18)8-9-21-26(24,25)19-11-14(2)4-6-15(19)3/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,23)
InChIKeyCBNCCFKLOCXJMY-UHFFFAOYSA-N
XLogP2.97
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643310
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110326072
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110325909
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110414664
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326320
2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666569
N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331255
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (CID 110325922) is 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is CBNCCFKLOCXJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-5-7-18-17(10-13)12-16(20(23)22-18)8-9-21-26(24,25)19-11-14(2)4-6-15(19)3/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110325922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).