4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide

C14H12N2O4S2 — CID 54694115

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H12N2O4S2/c1-16-11(14(18)15-9-5-3-2-4-6-9)12(17)13-10(7-8-21-13)22(16,19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyJYSXBKQQEZDNIV-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.25
Rot. Bonds2

About 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide (PubChem CID 54694115) has the molecular formula C14H12N2O4S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide
PubChem CID54694115
Molecular FormulaC14H12N2O4S2
Molecular Weight336.39 g/mol
Exact Mass336.02
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H12N2O4S2/c1-16-11(14(18)15-9-5-3-2-4-6-9)12(17)13-10(7-8-21-13)22(16,19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyJYSXBKQQEZDNIV-UHFFFAOYSA-N
XLogP2.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide (CID 54694115) is 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2ccccc2)=C(O)c2sccc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is JYSXBKQQEZDNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S2/c1-16-11(14(18)15-9-5-3-2-4-6-9)12(17)13-10(7-8-21-13)22(16,19)20/h2-8,17H,1H3,(H,15,18).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54694115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).