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

C21H25N3O4S — CID 46282108

IUPACN-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C21H25N3O4S/c1-3-15-7-4-5-9-18(15)23-21(26)14-24(2)29(27,28)17-11-12-19-16(13-17)8-6-10-20(25)22-19/h4-5,7,9,11-13H,3,6,8,10,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMNDOSYBNHRSRJX-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.78
Rot. Bonds6

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

N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide (PubChem CID 46282108) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
PubChem CID46282108
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C21H25N3O4S/c1-3-15-7-4-5-9-18(15)23-21(26)14-24(2)29(27,28)17-11-12-19-16(13-17)8-6-10-20(25)22-19/h4-5,7,9,11-13H,3,6,8,10,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMNDOSYBNHRSRJX-UHFFFAOYSA-N
XLogP2.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282131
N-benzyl-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282161
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-(2,4,6-trimethylphenyl)acetamide
CID 7419991
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122706686
N-methyl-2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46282119
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20862437
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46282153
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide (CID 46282108) is N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide is CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
The InChIKey is MNDOSYBNHRSRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-3-15-7-4-5-9-18(15)23-21(26)14-24(2)29(27,28)17-11-12-19-16(13-17)8-6-10-20(25)22-19/h4-5,7,9,11-13H,3,6,8,10,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide?
N-(2-ethylphenyl)-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 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 46282108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).