N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide

C21H24N2O3S — CID 59375216

IUPACN-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide
SMILESCC(=O)N(c1ccc2c(c1)C(C)=CC(C)(C)N2)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-6-9-18(10-7-14)27(25,26)23(16(3)24)17-8-11-20-19(12-17)15(2)13-21(4,5)22-20/h6-13,22H,1-5H3
InChIKeyYNJAODACIJQUQF-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.34
Rot. Bonds3

About N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide

N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide (PubChem CID 59375216) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide
PubChem CID59375216
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide
SMILESCC(=O)N(c1ccc2c(c1)C(C)=CC(C)(C)N2)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-6-9-18(10-7-14)27(25,26)23(16(3)24)17-8-11-20-19(12-17)15(2)13-21(4,5)22-20/h6-13,22H,1-5H3
InChIKeyYNJAODACIJQUQF-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 59375193
N,4-dimethyl-N-(2,2,4,7-tetramethyl-1H-quinolin-6-yl)benzenesulfonamide
CID 68619908
2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine
CID 154263778
N-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 872481
N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide
CID 67464654
[4-[acetyl(benzenesulfonyl)amino]-2-(4-methylphenyl)sulfonylphenyl] acetate
CID 5117631
2,2,4-trimethyl-6-(2,3,4-trifluorophenyl)-1H-quinoline
CID 23433581
ethyl 5-[acetyl-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 6618100
2,2,4-trimethyl-1H-quinolin-7-ol
CID 23433587
N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide
CID 1094874
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide
CID 1180628

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide (CID 59375216) is N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide is CC(=O)N(c1ccc2c(c1)C(C)=CC(C)(C)N2)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide?
The InChIKey is YNJAODACIJQUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-6-9-18(10-7-14)27(25,26)23(16(3)24)17-8-11-20-19(12-17)15(2)13-21(4,5)22-20/h6-13,22H,1-5H3.
What are the key properties of N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide?
N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 59375216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).