N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide

C15H13ClN2O4S2 — CID 10715086

IUPACN-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide
SMILESCc1cc2c(s1)C(C(=O)Nc1ccc(Cl)cc1)=C(O)N(C)S2(=O)=O
InChIInChI=1S/C15H13ClN2O4S2/c1-8-7-11-13(23-8)12(15(20)18(2)24(11,21)22)14(19)17-10-5-3-9(16)4-6-10/h3-7,20H,1-2H3,(H,17,19)
InChIKeyJNUFLDBNJSZKHR-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.21
Rot. Bonds2

About N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide

N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide (PubChem CID 10715086) has the molecular formula C15H13ClN2O4S2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide
PubChem CID10715086
Molecular FormulaC15H13ClN2O4S2
Molecular Weight384.87 g/mol
Exact Mass384.00
IUPAC NameN-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide
SMILESCc1cc2c(s1)C(C(=O)Nc1ccc(Cl)cc1)=C(O)N(C)S2(=O)=O
InChIInChI=1S/C15H13ClN2O4S2/c1-8-7-11-13(23-8)12(15(20)18(2)24(11,21)22)14(19)17-10-5-3-9(16)4-6-10/h3-7,20H,1-2H3,(H,17,19)
InChIKeyJNUFLDBNJSZKHR-UHFFFAOYSA-N
XLogP3.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
CID 10834001
N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 53276969
7-chloro-3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide
CID 10761767
N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
CID 10598034
N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 42878933
6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54683005
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
CID 54687031
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694112
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
N-(4-chlorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99821357
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide (CID 10715086) is N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide is Cc1cc2c(s1)C(C(=O)Nc1ccc(Cl)cc1)=C(O)N(C)S2(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide?
The InChIKey is JNUFLDBNJSZKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S2/c1-8-7-11-13(23-8)12(15(20)18(2)24(11,21)22)14(19)17-10-5-3-9(16)4-6-10/h3-7,20H,1-2H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide?
N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-hydroxy-2,6-dimethyl-1,1-dioxothieno[2,3-e]thiazine-4-carboxamide is sourced from PubChem (CID 10715086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).