2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

C20H19ClN2O2S — CID 42943286

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCc2ccccc21
InChIInChI=1S/C20H19ClN2O2S/c1-23(16-8-6-12-4-2-3-5-14(12)16)19(24)11-18-20(25)22-15-10-13(21)7-9-17(15)26-18/h2-5,7,9-10,16,18H,6,8,11H2,1H3,(H,22,25)
InChIKeyOQVLWWHWSBIJIR-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.29
Rot. Bonds3

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (PubChem CID 42943286) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
PubChem CID42943286
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCc2ccccc21
InChIInChI=1S/C20H19ClN2O2S/c1-23(16-8-6-12-4-2-3-5-14(12)16)19(24)11-18-20(25)22-15-10-13(21)7-9-17(15)26-18/h2-5,7,9-10,16,18H,6,8,11H2,1H3,(H,22,25)
InChIKeyOQVLWWHWSBIJIR-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (CID 42943286) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is CN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCc2ccccc21.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The InChIKey is OQVLWWHWSBIJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-23(16-8-6-12-4-2-3-5-14(12)16)19(24)11-18-20(25)22-15-10-13(21)7-9-17(15)26-18/h2-5,7,9-10,16,18H,6,8,11H2,1H3,(H,22,25).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide has a molecular weight of 386.90 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is sourced from PubChem (CID 42943286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).