2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide

C20H25N3O3S — CID 46279705

IUPAC2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-17-8-10-18(11-9-17)14-21-20(24)16-23-13-5-12-22(27(23,25)26)15-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H,21,24)
InChIKeyVPZOWKLIZRPXKE-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.06
Rot. Bonds6

About 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 46279705) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID46279705
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-17-8-10-18(11-9-17)14-21-20(24)16-23-13-5-12-22(27(23,25)26)15-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H,21,24)
InChIKeyVPZOWKLIZRPXKE-UHFFFAOYSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53029107
N-[(4-methoxyphenyl)methyl]-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952531
2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-phenylpropyl)acetamide
CID 20952468
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 53199056
N-[(4-fluorophenyl)methyl]-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 50793188
N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20953900
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
N-(3,5-dimethylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199093
2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 93060223

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 46279705) is 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1.
What is the InChIKey of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is VPZOWKLIZRPXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-17-8-10-18(11-9-17)14-21-20(24)16-23-13-5-12-22(27(23,25)26)15-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H,21,24).
What are the key properties of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46279705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).