N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide

C19H21N3O4S — CID 138996044

IUPACN,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1
InChIInChI=1S/C19H21N3O4S/c1-22(2)19(24)14-6-3-7-16(12-14)27(25,26)21-15-9-10-17-13(11-15)5-4-8-18(23)20-17/h3,6-7,9-12,21H,4-5,8H2,1-2H3,(H,20,23)
InChIKeyWGJCGKDUXPNDOJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.46
Rot. Bonds4

About N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide

N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide (PubChem CID 138996044) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide
PubChem CID138996044
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1
InChIInChI=1S/C19H21N3O4S/c1-22(2)19(24)14-6-3-7-16(12-14)27(25,26)21-15-9-10-17-13(11-15)5-4-8-18(23)20-17/h3,6-7,9-12,21H,4-5,8H2,1-2H3,(H,20,23)
InChIKeyWGJCGKDUXPNDOJ-UHFFFAOYSA-N
XLogP2.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586489
3-[(2-ethyl-4-oxo-1H-quinolin-6-yl)sulfamoyl]-N,N-dimethylbenzamide
CID 126785292
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
2-chloro-N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 110314501
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499851
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
N-(3,5-dimethoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927827

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide (CID 138996044) is N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide is CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1.
What is the InChIKey of N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide?
The InChIKey is WGJCGKDUXPNDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-22(2)19(24)14-6-3-7-16(12-14)27(25,26)21-15-9-10-17-13(11-15)5-4-8-18(23)20-17/h3,6-7,9-12,21H,4-5,8H2,1-2H3,(H,20,23).
What are the key properties of N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide?
N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfamoyl]benzamide is sourced from PubChem (CID 138996044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).