N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide

C18H20N2O4S — CID 40889041

IUPACN-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2
InChIInChI=1S/C18H20N2O4S/c1-3-11-25(22,23)19-13-9-10-16-14(12-13)18(21)20(4-2)15-7-5-6-8-17(15)24-16/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyMEDUIBBUEFUKHN-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.61
Rot. Bonds5

About N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide

N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide (PubChem CID 40889041) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide
PubChem CID40889041
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2
InChIInChI=1S/C18H20N2O4S/c1-3-11-25(22,23)19-13-9-10-16-14(12-13)18(21)20(4-2)15-7-5-6-8-17(15)24-16/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyMEDUIBBUEFUKHN-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide 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

4-ethyl-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889046
N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 40889087
N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methoxy-2-methylbenzenesulfonamide
CID 40889101
2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947309
2-bromo-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 40947312
N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide
CID 40947269
5-ethyl-8-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-6-one
CID 168514850
N-[4-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)sulfamoyl]phenyl]butanamide
CID 40889009
methyl 4-[(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563041
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 20933384
[5-(2-methoxyethyl)-6-oxobenzo[b][1,4]benzoxazepin-8-yl]carbamic acid
CID 174190215
1-bromo-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide
CID 40889392

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide?
The IUPAC name of N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide (CID 40889041) is N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide?
The canonical SMILES for N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2.
What is the InChIKey of N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide?
The InChIKey is MEDUIBBUEFUKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-11-25(22,23)19-13-9-10-16-14(12-13)18(21)20(4-2)15-7-5-6-8-17(15)24-16/h5-10,12,19H,3-4,11H2,1-2H3.
What are the key properties of N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide?
N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propane-1-sulfonamide is sourced from PubChem (CID 40889041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).