5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide

C19H19N3O4S — CID 17253677

IUPAC5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N(C)c2ccccc2)=C1
InChIInChI=1S/C19H19N3O4S/c1-21(14-9-5-4-6-10-14)19(23)17-13-16(20-27(24,25)22(17)2)15-11-7-8-12-18(15)26-3/h4-13H,1-3H3
InChIKeyHJKCBNPLRWKESA-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.22
Rot. Bonds4

About 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide

5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253677) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253677
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N(C)c2ccccc2)=C1
InChIInChI=1S/C19H19N3O4S/c1-21(14-9-5-4-6-10-14)19(23)17-13-16(20-27(24,25)22(17)2)15-11-7-8-12-18(15)26-3/h4-13H,1-3H3
InChIKeyHJKCBNPLRWKESA-UHFFFAOYSA-N
XLogP2.22
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide (CID 17253677) is 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide is COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N(C)c2ccccc2)=C1.
What is the InChIKey of 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is HJKCBNPLRWKESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-21(14-9-5-4-6-10-14)19(23)17-13-16(20-27(24,25)22(17)2)15-11-7-8-12-18(15)26-3/h4-13H,1-3H3.
What are the key properties of 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide?
5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N,2-dimethyl-1,1-dioxo-N-phenyl-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).