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

C17H18N2OS — CID 20907134

IUPACN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCSc3ccccc32)cc1C
InChIInChI=1S/C17H18N2OS/c1-12-7-8-14(11-13(12)2)18-17(20)19-9-10-21-16-6-4-3-5-15(16)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyXPAZFXOOJLNWAK-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.45
Rot. Bonds1

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

N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 20907134) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID20907134
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCSc3ccccc32)cc1C
InChIInChI=1S/C17H18N2OS/c1-12-7-8-14(11-13(12)2)18-17(20)19-9-10-21-16-6-4-3-5-15(16)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyXPAZFXOOJLNWAK-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8591921
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
ethyl 3-(2,3-dihydro-1,4-benzothiazine-4-carbonylamino)benzoate
CID 20907144
N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide
CID 55555042
ethyl 2-(2,3-dihydro-1,4-benzothiazine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 20907169
N-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050080
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanamide
CID 56559593
3-(tert-butylamino)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 61260770
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
3-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2,2-dimethylpropan-1-one
CID 113307633
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 20907134) is N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is Cc1ccc(NC(=O)N2CCSc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is XPAZFXOOJLNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-7-8-14(11-13(12)2)18-17(20)19-9-10-21-16-6-4-3-5-15(16)19/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 20907134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).