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

C15H14N2O4S2 — CID 54687031

IUPAC4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=C(O)c3sccc3N(C)S2(=O)=O)cc1
InChIInChI=1S/C15H14N2O4S2/c1-9-3-5-10(6-4-9)16-15(19)14-12(18)13-11(7-8-22-13)17(2)23(14,20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeyXSZSBMBHDGQDRH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.70
Rot. Bonds2

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

4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54687031) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
PubChem CID54687031
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC Name4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=C(O)c3sccc3N(C)S2(=O)=O)cc1
InChIInChI=1S/C15H14N2O4S2/c1-9-3-5-10(6-4-9)16-15(19)14-12(18)13-11(7-8-22-13)17(2)23(14,20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeyXSZSBMBHDGQDRH-UHFFFAOYSA-N
XLogP2.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
CID 54687555
N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carbothioamide
CID 135447057
4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694104
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694112
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592084
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 20735470
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
4-hydroxy-2-methyl-1,1-dioxo-N-(3,4,5,6-tetradeuterio-2-pyridinyl)thieno[2,3-e]thiazine-3-carboxamide
CID 71752364
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (CID 54687031) is 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is Cc1ccc(NC(=O)C2=C(O)c3sccc3N(C)S2(=O)=O)cc1.
What is the InChIKey of 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is XSZSBMBHDGQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-9-3-5-10(6-4-9)16-15(19)14-12(18)13-11(7-8-22-13)17(2)23(14,20)21/h3-8,18H,1-2H3,(H,16,19).
What are the key properties of 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54687031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).