5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C19H18FN3O4S — CID 22515216

IUPAC5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)cc1
InChIInChI=1S/C19H18FN3O4S/c1-23-18(19(24)21-12-13-3-9-16(27-2)10-4-13)11-17(22-28(23,25)26)14-5-7-15(20)8-6-14/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyAREJDNQMTKTCBX-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.01
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515216) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515216
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)cc1
InChIInChI=1S/C19H18FN3O4S/c1-23-18(19(24)21-12-13-3-9-16(27-2)10-4-13)11-17(22-28(23,25)26)14-5-7-15(20)8-6-14/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyAREJDNQMTKTCBX-UHFFFAOYSA-N
XLogP2.01
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515216) is 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(CNC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is AREJDNQMTKTCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-23-18(19(24)21-12-13-3-9-16(27-2)10-4-13)11-17(22-28(23,25)26)14-5-7-15(20)8-6-14/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).