N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C20H19Cl2N3O3S — CID 24656018

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-25(10-17(26)24-18-13(21)5-4-6-14(18)22)20(28)12-7-8-16-15(9-12)23-19(27)11(2)29-16/h4-9,11H,3,10H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIKMBNGZNVHKLDG-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.53
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 24656018) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID24656018
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-25(10-17(26)24-18-13(21)5-4-6-14(18)22)20(28)12-7-8-16-15(9-12)23-19(27)11(2)29-16/h4-9,11H,3,10H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIKMBNGZNVHKLDG-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide 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-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17497686
[2-(2,6-dimethylanilino)-2-oxoethyl] (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 51442882
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
3-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 32824641
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-3-nitrobenzamide
CID 24553223
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 78792656
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2R)-2-methyl-3-oxo-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 94818609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 24656018) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is IKMBNGZNVHKLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-3-25(10-17(26)24-18-13(21)5-4-6-14(18)22)20(28)12-7-8-16-15(9-12)23-19(27)11(2)29-16/h4-9,11H,3,10H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 452.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 24656018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).