N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

C20H22N2O3S — CID 50814754

IUPACN-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C20H22N2O3S/c1-13-11-14(20(23)21-15-7-3-4-8-15)12-17-16-9-5-6-10-18(16)26(24,25)22(2)19(13)17/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeySSTQBXMCVHTQGS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.47
Rot. Bonds2

About N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (PubChem CID 50814754) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
PubChem CID50814754
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C20H22N2O3S/c1-13-11-14(20(23)21-15-7-3-4-8-15)12-17-16-9-5-6-10-18(16)26(24,25)22(2)19(13)17/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,23)
InChIKeySSTQBXMCVHTQGS-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814682
4-chloro-N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 46870465
N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 7962238
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
N-cycloheptyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 2409921
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide
CID 1235456
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The IUPAC name of N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (CID 50814754) is N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.
What is the SMILES notation for N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The canonical SMILES for N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is Cc1cc(C(=O)NC2CCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The InChIKey is SSTQBXMCVHTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-11-14(20(23)21-15-7-3-4-8-15)12-17-16-9-5-6-10-18(16)26(24,25)22(2)19(13)17/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).