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

C22H27N3O5S — CID 24678284

IUPACN-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H27N3O5S/c1-15-5-4-6-19(16(15)2)23-22(27)14-25(11-12-30-3)31(28,29)18-8-9-20-17(13-18)7-10-21(26)24-20/h4-6,8-9,13H,7,10-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyFSPVJHYWIGFBPS-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.46
Rot. Bonds8

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

N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (PubChem CID 24678284) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
PubChem CID24678284
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H27N3O5S/c1-15-5-4-6-19(16(15)2)23-22(27)14-25(11-12-30-3)31(28,29)18-8-9-20-17(13-18)7-10-21(26)24-20/h4-6,8-9,13H,7,10-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyFSPVJHYWIGFBPS-UHFFFAOYSA-N
XLogP2.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 24678249
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 24678241
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678262
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7419991
N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282164
N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282131
N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282108
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33170042
N-[(3-methoxyphenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862474
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596379
N-(3,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282133

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (CID 24678284) is N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is COCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The InChIKey is FSPVJHYWIGFBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15-5-4-6-19(16(15)2)23-22(27)14-25(11-12-30-3)31(28,29)18-8-9-20-17(13-18)7-10-21(26)24-20/h4-6,8-9,13H,7,10-12,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 445.54 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 24678284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).