2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide

C26H27N3O4S — CID 123167303

IUPAC2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)Cc2cc(C(=O)NS(C)(=O)=O)ccc2NC1N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3O4S/c1-26(2)17-20-16-19(23(30)28-34(3,32)33)14-15-22(20)27-25(26)29(21-12-8-5-9-13-21)24(31)18-10-6-4-7-11-18/h4-16,25,27H,17H2,1-3H3,(H,28,30)
InChIKeyRAYFEBRGIGEYRC-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.04
Rot. Bonds5

About 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide

2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 123167303) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID123167303
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)Cc2cc(C(=O)NS(C)(=O)=O)ccc2NC1N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3O4S/c1-26(2)17-20-16-19(23(30)28-34(3,32)33)14-15-22(20)27-25(26)29(21-12-8-5-9-13-21)24(31)18-10-6-4-7-11-18/h4-16,25,27H,17H2,1-3H3,(H,28,30)
InChIKeyRAYFEBRGIGEYRC-UHFFFAOYSA-N
XLogP4.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

methyl 3,3-dimethyl-2-[3-(methylsulfonylcarbamoyl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate
CID 67441518
2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide
CID 123598137
2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 53491763
2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67458350
N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 53491693
ethyl 3,3-dimethyl-2-[3-[methylcarbamoyl(propan-2-yl)amino]phenyl]-2,4-dihydro-1H-quinoline-6-carboxylate
CID 123460417
3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 58476233
2-[4-fluoro-3-[(3-fluorophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67440485
N-tert-butyl-4-[3-[3,3-dimethyl-6-(2-methylsulfonylacetyl)-2,4-dihydro-1H-quinolin-2-yl]phenyl]benzamide
CID 163553534
3-methyl-N-methylsulfonylbenzamide
CID 18331681
(6-chloro-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl) benzoate
CID 174722341
2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67441012

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide (CID 123167303) is 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide is CC1(C)Cc2cc(C(=O)NS(C)(=O)=O)ccc2NC1N(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is RAYFEBRGIGEYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-26(2)17-20-16-19(23(30)28-34(3,32)33)14-15-22(20)27-25(26)29(21-12-8-5-9-13-21)24(31)18-10-6-4-7-11-18/h4-16,25,27H,17H2,1-3H3,(H,28,30).
What are the key properties of 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzoylanilino)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 123167303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).