2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C21H25N3O4S — CID 7419991

IUPAC2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C21H25N3O4S/c1-13-9-14(2)21(15(3)10-13)23-20(26)12-24(4)29(27,28)17-6-7-18-16(11-17)5-8-19(25)22-18/h6-7,9-11H,5,8,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyNLQTXXABBLRXIM-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.76
Rot. Bonds5

About 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7419991) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7419991
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(C)c1
InChIInChI=1S/C21H25N3O4S/c1-13-9-14(2)21(15(3)10-13)23-20(26)12-24(4)29(27,28)17-6-7-18-16(11-17)5-8-19(25)22-18/h6-7,9-11H,5,8,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyNLQTXXABBLRXIM-UHFFFAOYSA-N
XLogP2.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282131
N-(3,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282133
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20862437
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862475
N-(4-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282109
N-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862480
N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282108
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetate
CID 71898874
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N,N-bis(2-methylpropyl)acetamide
CID 20862469
N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282164
N-[(3-methoxyphenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862474
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122706686

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 7419991) is 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(C)c1.
What is the InChIKey of 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NLQTXXABBLRXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-13-9-14(2)21(15(3)10-13)23-20(26)12-24(4)29(27,28)17-6-7-18-16(11-17)5-8-19(25)22-18/h6-7,9-11H,5,8,12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7419991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).