4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide

C14H12N2O5S2 — CID 54694116

IUPAC4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(O)cc2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H12N2O5S2/c1-16-11(14(19)15-8-2-4-9(17)5-3-8)12(18)13-10(6-7-22-13)23(16,20)21/h2-7,17-18H,1H3,(H,15,19)
InChIKeyUEUCMHBLHTUJQP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.95
Rot. Bonds2

About 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide

4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (PubChem CID 54694116) has the molecular formula C14H12N2O5S2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
PubChem CID54694116
Molecular FormulaC14H12N2O5S2
Molecular Weight352.39 g/mol
Exact Mass352.02
IUPAC Name4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(O)cc2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H12N2O5S2/c1-16-11(14(19)15-8-2-4-9(17)5-3-8)12(18)13-10(6-7-22-13)23(16,20)21/h2-7,17-18H,1H3,(H,15,19)
InChIKeyUEUCMHBLHTUJQP-UHFFFAOYSA-N
XLogP1.95
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(4-Thiophen-2-ylsulfonylpiperazin-1-yl)phenol
CID 2471495
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065
N~1~-(4-ethoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3243492
N-(3-Hydroxyphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 16017230
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54682080
N~1~-(4-methoxyphenyl)-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3240498
N-cyclohexyl-2-(4-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2089326
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694112
4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide
CID 54694115
Ethanediamide, N-(4-hydroxyphenyl)-N'-(phenylsulfonyl)-
CID 3022154
N-(4-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
CID 2497434
2-(N-Methylthiophene-2-sulfonamido)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7409994

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (CID 54694116) is 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2ccc(O)cc2)=C(O)c2sccc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is UEUCMHBLHTUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S2/c1-16-11(14(19)15-8-2-4-9(17)5-3-8)12(18)13-10(6-7-22-13)23(16,20)21/h2-7,17-18H,1H3,(H,15,19).
What are the key properties of 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54694116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).