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

C14H11ClN2O4S2 — CID 54694112

IUPACN-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2cccc(Cl)c2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H11ClN2O4S2/c1-17-11(14(19)16-9-4-2-3-8(15)7-9)12(18)13-10(5-6-22-13)23(17,20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyMNERQOIUIPSDOO-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.90
Rot. Bonds2

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

N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (PubChem CID 54694112) has the molecular formula C14H11ClN2O4S2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
PubChem CID54694112
Molecular FormulaC14H11ClN2O4S2
Molecular Weight370.84 g/mol
Exact Mass369.98
IUPAC NameN-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2cccc(Cl)c2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H11ClN2O4S2/c1-17-11(14(19)16-9-4-2-3-8(15)7-9)12(18)13-10(5-6-22-13)23(17,20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyMNERQOIUIPSDOO-UHFFFAOYSA-N
XLogP2.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 141335052
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 69171373
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54683005
N-(6-chloro-2-pyridinyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54720115
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306
N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734487
N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
CID 54687555
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (CID 54694112) is N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2cccc(Cl)c2)=C(O)c2sccc2S1(=O)=O.
What is the InChIKey of N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is MNERQOIUIPSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S2/c1-17-11(14(19)16-9-4-2-3-8(15)7-9)12(18)13-10(5-6-22-13)23(17,20)21/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54694112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).