N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

C18H20N2O3S — CID 20907181

IUPACN-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CC(C)Sc3ccccc32)c1
InChIInChI=1S/C18H20N2O3S/c1-12-11-20(15-6-4-5-7-17(15)24-12)18(21)19-14-10-13(22-2)8-9-16(14)23-3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyXAFSPPOUNCOUNB-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.24
Rot. Bonds3

About N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 20907181) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID20907181
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CC(C)Sc3ccccc32)c1
InChIInChI=1S/C18H20N2O3S/c1-12-11-20(15-6-4-5-7-17(15)24-12)18(21)19-14-10-13(22-2)8-9-16(14)23-3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyXAFSPPOUNCOUNB-UHFFFAOYSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907195
N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907192
ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate
CID 20907182
N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295429
N-(2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875312
N-(2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-2-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 92882642
N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899624
methyl 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoate
CID 110738049
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 20907181) is N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is COc1ccc(OC)c(NC(=O)N2CC(C)Sc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is XAFSPPOUNCOUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-11-20(15-6-4-5-7-17(15)24-12)18(21)19-14-10-13(22-2)8-9-16(14)23-3/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 20907181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).