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

C19H18FN3O3S — CID 17253512

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccc(F)cc3)=C2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-3-7-15(8-4-13)17-11-18(23(2)27(25,26)22-17)19(24)21-12-14-5-9-16(20)10-6-14/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyURYLRLCOPKJMCW-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.31
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253512) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253512
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccc(F)cc3)=C2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-3-7-15(8-4-13)17-11-18(23(2)27(25,26)22-17)19(24)21-12-14-5-9-16(20)10-6-14/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyURYLRLCOPKJMCW-UHFFFAOYSA-N
XLogP2.31
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253512) is N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccc(F)cc3)=C2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is URYLRLCOPKJMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-3-7-15(8-4-13)17-11-18(23(2)27(25,26)22-17)19(24)21-12-14-5-9-16(20)10-6-14/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).