2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone

C19H23N3O3S — CID 14868699

IUPAC2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone
SMILESCCN(CC)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-4-21(5-2)14-19(23)22-16-11-7-6-10-15(16)20(3)26(24,25)18-13-9-8-12-17(18)22/h6-13H,4-5,14H2,1-3H3
InChIKeyGYRPNCDIMUQEEK-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.83
Rot. Bonds4

About 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone

2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone (PubChem CID 14868699) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone
PubChem CID14868699
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone
SMILESCCN(CC)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-4-21(5-2)14-19(23)22-16-11-7-6-10-15(16)20(3)26(24,25)18-13-9-8-12-17(18)22/h6-13H,4-5,14H2,1-3H3
InChIKeyGYRPNCDIMUQEEK-UHFFFAOYSA-N
XLogP2.83
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone (CID 14868699) is 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone is CCN(CC)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone?
The InChIKey is GYRPNCDIMUQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-21(5-2)14-19(23)22-16-11-7-6-10-15(16)20(3)26(24,25)18-13-9-8-12-17(18)22/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone?
2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone has a molecular weight of 373.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone is sourced from PubChem (CID 14868699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).