5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide

C18H23N5O4S — CID 97443064

IUPAC5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide
SMILESCCN(C)C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C18H23N5O4S/c1-5-21(4)18(25)17-14-10-22(11-16(24)20(2)3)28(26,27)15-9-7-6-8-13(15)23(14)12-19-17/h6-9,12H,5,10-11H2,1-4H3
InChIKeyRSHKQSLXMMVQPU-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.56
Rot. Bonds4

About 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide

5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide (PubChem CID 97443064) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide
PubChem CID97443064
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide
SMILESCCN(C)C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C18H23N5O4S/c1-5-21(4)18(25)17-14-10-22(11-16(24)20(2)3)28(26,27)15-9-7-6-8-13(15)23(14)12-19-17/h6-9,12H,5,10-11H2,1-4H3
InChIKeyRSHKQSLXMMVQPU-UHFFFAOYSA-N
XLogP0.56
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide 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 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide (CID 97443064) is 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide is CCN(C)C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
The InChIKey is RSHKQSLXMMVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-5-21(4)18(25)17-14-10-22(11-16(24)20(2)3)28(26,27)15-9-7-6-8-13(15)23(14)12-19-17/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide?
5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-N-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide is sourced from PubChem (CID 97443064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).