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

C14H11ClN2O4S2 — CID 54686577

IUPACN-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C14H11ClN2O4S2/c1-17-10-5-6-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-3-8(15)7-9/h2-7,18H,1H3,(H,16,19)
InChIKeyDEUUSUHHZYKGQS-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.05
Rot. Bonds2

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

N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54686577) has the molecular formula C14H11ClN2O4S2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
PubChem CID54686577
Molecular FormulaC14H11ClN2O4S2
Molecular Weight370.84 g/mol
Exact Mass369.98
IUPAC NameN-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C14H11ClN2O4S2/c1-17-10-5-6-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-3-8(15)7-9/h2-7,18H,1H3,(H,16,19)
InChIKeyDEUUSUHHZYKGQS-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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
N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CID 135447057
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
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CID 135476807
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
N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide
CID 54687619
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-(3-Chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734358
N-(3-Chloro-2-fluorophenyl)-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734432
N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54734436

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (CID 54686577) is N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is CN1c2ccsc2C(O)=C(C(=O)Nc2cccc(Cl)c2)S1(=O)=O.
What is the InChIKey of N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is DEUUSUHHZYKGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S2/c1-17-10-5-6-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-3-8(15)7-9/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.05, 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-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54686577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).