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

C14H11FN2O4S2 — CID 54687555

IUPACN-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2ccc(F)cc2)S1(=O)=O
InChIInChI=1S/C14H11FN2O4S2/c1-17-10-6-7-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-8(15)3-5-9/h2-7,18H,1H3,(H,16,19)
InChIKeyFWDTVDKARXJLEZ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.53
Rot. Bonds2

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

N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54687555) has the molecular formula C14H11FN2O4S2 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
PubChem CID54687555
Molecular FormulaC14H11FN2O4S2
Molecular Weight354.38 g/mol
Exact Mass354.01
IUPAC NameN-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2ccc(F)cc2)S1(=O)=O
InChIInChI=1S/C14H11FN2O4S2/c1-17-10-6-7-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-8(15)3-5-9/h2-7,18H,1H3,(H,16,19)
InChIKeyFWDTVDKARXJLEZ-UHFFFAOYSA-N
XLogP2.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide
CID 54684985
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
N-(4-fluorophenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide;methane
CID 158538913
5-fluoro-2-methyl-N-[4-(3-oxa-13-thia-4,9-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-9-carbonyl)phenyl]benzamide
CID 19699061
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751902
N-(4-fluorophenyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344605
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (CID 54687555) is N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is CN1c2ccsc2C(O)=C(C(=O)Nc2ccc(F)cc2)S1(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is FWDTVDKARXJLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S2/c1-17-10-6-7-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-8(15)3-5-9/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54687555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).