2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide

C24H34N2O2S — CID 25205133

IUPAC2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CN2CCCc3cc(C)ccc32)C(C)C)c(C)c1
InChIInChI=1S/C24H34N2O2S/c1-16(2)22(15-26-11-7-8-21-14-17(3)9-10-23(21)26)25-29(27,28)24-19(5)12-18(4)13-20(24)6/h9-10,12-14,16,22,25H,7-8,11,15H2,1-6H3
InChIKeyRULQWTYJSDBUTK-UHFFFAOYSA-N
MW414.62 g/mol
LogP4.68
Rot. Bonds6

About 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide (PubChem CID 25205133) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide
PubChem CID25205133
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC Name2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CN2CCCc3cc(C)ccc32)C(C)C)c(C)c1
InChIInChI=1S/C24H34N2O2S/c1-16(2)22(15-26-11-7-8-21-14-17(3)9-10-23(21)26)25-29(27,28)24-19(5)12-18(4)13-20(24)6/h9-10,12-14,16,22,25H,7-8,11,15H2,1-6H3
InChIKeyRULQWTYJSDBUTK-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 70947769
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
N-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 62041176
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]butan-2-amine
CID 60854306
1-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-amine
CID 81102110
N-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 14511671
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
1-(cyclopropylamino)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 43343115
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide (CID 25205133) is 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(CN2CCCc3cc(C)ccc32)C(C)C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is RULQWTYJSDBUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-16(2)22(15-26-11-7-8-21-14-17(3)9-10-23(21)26)25-29(27,28)24-19(5)12-18(4)13-20(24)6/h9-10,12-14,16,22,25H,7-8,11,15H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 414.62 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25205133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).