4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C17H18N2OS — CID 24792796

IUPAC4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)N(C)CCS2
InChIInChI=1S/C17H18N2OS/c1-12-5-3-4-6-14(12)18-17(20)13-7-8-16-15(11-13)19(2)9-10-21-16/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyMQEVKYIOPXUNDM-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.79
Rot. Bonds2

About 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 24792796) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID24792796
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)N(C)CCS2
InChIInChI=1S/C17H18N2OS/c1-12-5-3-4-6-14(12)18-17(20)13-7-8-16-15(11-13)19(2)9-10-21-16/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyMQEVKYIOPXUNDM-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 24792796) is 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is Cc1ccccc1NC(=O)c1ccc2c(c1)N(C)CCS2.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is MQEVKYIOPXUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-5-3-4-6-14(12)18-17(20)13-7-8-16-15(11-13)19(2)9-10-21-16/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 24792796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).