N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C21H19N3O3S — CID 46326271

IUPACN-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(=O)n2c(nc3cc(C)c(C)cc32)s1
InChIInChI=1S/C21H19N3O3S/c1-4-27-17-8-6-5-7-14(17)22-20(26)18-11-19(25)24-16-10-13(3)12(2)9-15(16)23-21(24)28-18/h5-11H,4H2,1-3H3,(H,22,26)
InChIKeyJIEUXPIVXHRQDG-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.18
Rot. Bonds4

About N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326271) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326271
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(=O)n2c(nc3cc(C)c(C)cc32)s1
InChIInChI=1S/C21H19N3O3S/c1-4-27-17-8-6-5-7-14(17)22-20(26)18-11-19(25)24-16-10-13(3)12(2)9-15(16)23-21(24)28-18/h5-11H,4H2,1-3H3,(H,22,26)
InChIKeyJIEUXPIVXHRQDG-UHFFFAOYSA-N
XLogP4.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
N-(2-ethoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015267
N-(4-chloro-2-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326110
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
N-(2-ethoxyphenyl)-4-methylthiophene-2-carboxamide
CID 110860143
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
2-(diethylamino)-N-(2-ethoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865260
7,8-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326315
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650287
N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326150
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326271) is N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is CCOc1ccccc1NC(=O)c1cc(=O)n2c(nc3cc(C)c(C)cc32)s1.
What is the InChIKey of N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is JIEUXPIVXHRQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-4-27-17-8-6-5-7-14(17)22-20(26)18-11-19(25)24-16-10-13(3)12(2)9-15(16)23-21(24)28-18/h5-11H,4H2,1-3H3,(H,22,26).
What are the key properties of N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).