N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide

C16H16N2O4S2 — CID 70331122

IUPACN-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)N(C)S(=O)c3cc(C)sc32)cc1
InChIInChI=1S/C16H16N2O4S2/c1-9-8-12-14(23-9)13(16(20)18(2)24(12)21)15(19)17-10-4-6-11(22-3)7-5-10/h4-8,13H,1-3H3,(H,17,19)
InChIKeySGDMWUIHEMIHQD-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds3

About N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide

N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide (PubChem CID 70331122) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide
PubChem CID70331122
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC NameN-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)N(C)S(=O)c3cc(C)sc32)cc1
InChIInChI=1S/C16H16N2O4S2/c1-9-8-12-14(23-9)13(16(20)18(2)24(12)21)15(19)17-10-4-6-11(22-3)7-5-10/h4-8,13H,1-3H3,(H,17,19)
InChIKeySGDMWUIHEMIHQD-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide (CID 70331122) is N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide is COc1ccc(NC(=O)C2C(=O)N(C)S(=O)c3cc(C)sc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide?
The InChIKey is SGDMWUIHEMIHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-9-8-12-14(23-9)13(16(20)18(2)24(12)21)15(19)17-10-4-6-11(22-3)7-5-10/h4-8,13H,1-3H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide?
N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,6-dimethyl-1,3-dioxo-4H-thieno[2,3-e]thiazine-4-carboxamide is sourced from PubChem (CID 70331122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).