N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide

C17H18N2O3S — CID 20907136

IUPACN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSc3ccccc32)cc1OC
InChIInChI=1S/C17H18N2O3S/c1-21-14-8-7-12(11-15(14)22-2)18-17(20)19-9-10-23-16-6-4-3-5-13(16)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyFQYPCLJDZQMIDE-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.85
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 20907136) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID20907136
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSc3ccccc32)cc1OC
InChIInChI=1S/C17H18N2O3S/c1-21-14-8-7-12(11-15(14)22-2)18-17(20)19-9-10-23-16-6-4-3-5-13(16)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyFQYPCLJDZQMIDE-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 20907136) is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is COc1ccc(NC(=O)N2CCSc3ccccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is FQYPCLJDZQMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-21-14-8-7-12(11-15(14)22-2)18-17(20)19-9-10-23-16-6-4-3-5-13(16)19/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 20907136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).