N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide

C14H16ClN3O3S — CID 9402206

IUPACN-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide
SMILESCC1=NS(=O)(=O)NC(C)=C1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O3S/c1-9-13(10(2)18-22(20,21)17-9)7-14(19)16-8-11-4-3-5-12(15)6-11/h3-6,17H,7-8H2,1-2H3,(H,16,19)
InChIKeyBVXAMZMXJHMHPR-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.93
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide

N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide (PubChem CID 9402206) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide
PubChem CID9402206
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide
SMILESCC1=NS(=O)(=O)NC(C)=C1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O3S/c1-9-13(10(2)18-22(20,21)17-9)7-14(19)16-8-11-4-3-5-12(15)6-11/h3-6,17H,7-8H2,1-2H3,(H,16,19)
InChIKeyBVXAMZMXJHMHPR-UHFFFAOYSA-N
XLogP1.93
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide (CID 9402206) is N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide is CC1=NS(=O)(=O)NC(C)=C1CC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide?
The InChIKey is BVXAMZMXJHMHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-9-13(10(2)18-22(20,21)17-9)7-14(19)16-8-11-4-3-5-12(15)6-11/h3-6,17H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide has a molecular weight of 341.82 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide is sourced from PubChem (CID 9402206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).