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

C18H20N2O2S — CID 20907192

IUPACN-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(C)Sc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-22-15-10-8-14(9-11-15)19-18(21)20-12-13(2)23-17-7-5-4-6-16(17)20/h4-11,13H,3,12H2,1-2H3,(H,19,21)
InChIKeyRSYVCJIWYVLPOW-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.62
Rot. Bonds3

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

N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 20907192) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID20907192
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(C)Sc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-22-15-10-8-14(9-11-15)19-18(21)20-12-13(2)23-17-7-5-4-6-16(17)20/h4-11,13H,3,12H2,1-2H3,(H,19,21)
InChIKeyRSYVCJIWYVLPOW-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352663
ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzothiazine-4-carbonyl)amino]benzoate
CID 20907182
N-(4-bromophenyl)-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907239
N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713164
N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907181
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878126
methyl 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoate
CID 110738049
N-(4-ethoxyphenyl)-2-(3-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78900025
2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
CID 92875307
N-(4-butoxyphenyl)phenothiazine-10-carboxamide
CID 4939729
N-(4-ethoxyphenyl)-2-[(2R)-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 27652826
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 20907192) is N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is CCOc1ccc(NC(=O)N2CC(C)Sc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is RSYVCJIWYVLPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-22-15-10-8-14(9-11-15)19-18(21)20-12-13(2)23-17-7-5-4-6-16(17)20/h4-11,13H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 20907192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).