5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide

C21H23N3O5S — CID 17253781

IUPAC5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)c3ccccc3)=C2)c1
InChIInChI=1S/C21H23N3O5S/c1-14(15-8-6-5-7-9-15)22-21(25)19-13-18(23-30(26,27)24(19)2)17-12-16(28-3)10-11-20(17)29-4/h5-14H,1-4H3,(H,22,25)
InChIKeyPEJCKDLKEMWOPI-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.44
Rot. Bonds6

About 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide

5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253781) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253781
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)c3ccccc3)=C2)c1
InChIInChI=1S/C21H23N3O5S/c1-14(15-8-6-5-7-9-15)22-21(25)19-13-18(23-30(26,27)24(19)2)17-12-16(28-3)10-11-20(17)29-4/h5-14H,1-4H3,(H,22,25)
InChIKeyPEJCKDLKEMWOPI-UHFFFAOYSA-N
XLogP2.44
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide (CID 17253781) is 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide is COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)c3ccccc3)=C2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is PEJCKDLKEMWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14(15-8-6-5-7-9-15)22-21(25)19-13-18(23-30(26,27)24(19)2)17-12-16(28-3)10-11-20(17)29-4/h5-14H,1-4H3,(H,22,25).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).