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

C17H18N2O2S — CID 24792795

IUPACN-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C17H18N2O2S/c1-19-9-10-22-16-8-3-12(11-15(16)19)17(20)18-13-4-6-14(21-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyJIKCQEIDGFNSMU-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.49
Rot. Bonds3

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

N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 24792795) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID24792795
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)N(C)CCS3)cc1
InChIInChI=1S/C17H18N2O2S/c1-19-9-10-22-16-8-3-12(11-15(16)19)17(20)18-13-4-6-14(21-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyJIKCQEIDGFNSMU-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 24792795) is N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)N(C)CCS3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is JIKCQEIDGFNSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-19-9-10-22-16-8-3-12(11-15(16)19)17(20)18-13-4-6-14(21-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 24792795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).