N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide

C21H25N3O4S — CID 46282131

IUPACN-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-7-9-18(15(2)11-14)22-21(26)13-24(3)29(27,28)17-8-10-19-16(12-17)5-4-6-20(25)23-19/h7-12H,4-6,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeySWQOEILPUKOBLH-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.84
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide

N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide (PubChem CID 46282131) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
PubChem CID46282131
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-7-9-18(15(2)11-14)22-21(26)13-24(3)29(27,28)17-8-10-19-16(12-17)5-4-6-20(25)23-19/h7-12H,4-6,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeySWQOEILPUKOBLH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282133
N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282108
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-(4-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282109
N-benzyl-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282161
N-methyl-2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46282119
N-(2,4-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373105
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-(2,3-dimethylcyclohexyl)-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862480
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 N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide (CID 46282131) is N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
The InChIKey is SWQOEILPUKOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14-7-9-18(15(2)11-14)22-21(26)13-24(3)29(27,28)17-8-10-19-16(12-17)5-4-6-20(25)23-19/h7-12H,4-6,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide has a molecular weight of 415.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 46282131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).