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

C15H13FN2O4S2 — CID 54678451

IUPACN-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide
SMILESCc1cc2c(s1)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1F)=C2O
InChIInChI=1S/C15H13FN2O4S2/c1-8-7-9-13(19)12(18(2)24(21,22)15(9)23-8)14(20)17-11-6-4-3-5-10(11)16/h3-7,19H,1-2H3,(H,17,20)
InChIKeyTXHOJKPWTYIWHW-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.70
Rot. Bonds2

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

N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide (PubChem CID 54678451) has the molecular formula C15H13FN2O4S2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide
PubChem CID54678451
Molecular FormulaC15H13FN2O4S2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC NameN-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide
SMILESCc1cc2c(s1)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1F)=C2O
InChIInChI=1S/C15H13FN2O4S2/c1-8-7-9-13(19)12(18(2)24(21,22)15(9)23-8)14(20)17-11-6-4-3-5-10(11)16/h3-7,19H,1-2H3,(H,17,20)
InChIKeyTXHOJKPWTYIWHW-UHFFFAOYSA-N
XLogP2.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-hydroxy-1,5,6-trimethyl-2,2-dioxo-N-phenylthieno[2,3-c]thiazine-3-carboxamide
CID 54687621
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687031
N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687554
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
4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694116
4-hydroxy-2-methyl-N-(3-methylphenyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54733913
4-hydroxy-2 methyl-N-(5-methyl-2-thiaolyl)-2h-1,2 benzothiazine-3-carboxamide 1,1-dioxide
CID 129821559
N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687555
4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687553
N-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687603

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide (CID 54678451) is N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide is Cc1cc2c(s1)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1F)=C2O.
What is the InChIKey of N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide?
The InChIKey is TXHOJKPWTYIWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S2/c1-8-7-9-13(19)12(18(2)24(21,22)15(9)23-8)14(20)17-11-6-4-3-5-10(11)16/h3-7,19H,1-2H3,(H,17,20).
What are the key properties of N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide?
N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide has a molecular weight of 368.41 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 N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide is sourced from PubChem (CID 54678451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).