2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide

C19H22ClN3O3S — CID 53199056

IUPAC2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-15-8-9-17(12-18(15)20)21-19(24)14-23-11-5-10-22(27(23,25)26)13-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24)
InChIKeyUNUWVVSAZYPHSK-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.04
Rot. Bonds5

About 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide

2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 53199056) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID53199056
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-15-8-9-17(12-18(15)20)21-19(24)14-23-11-5-10-22(27(23,25)26)13-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24)
InChIKeyUNUWVVSAZYPHSK-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 53030269
2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(3-chlorophenyl)acetamide
CID 46343883
N-(3-chloro-4-methoxyphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952635
N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 20921416
N-(3,4-dimethylphenyl)-2-[5-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46279672
N-(4-chlorophenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030292
N-(4-fluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46279725
N-(3-acetylphenyl)-2-[6-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952585
2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53199082
N-(3,5-dimethylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199093
2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 20921540
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46279705

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide (CID 53199056) is 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1Cl.
What is the InChIKey of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is UNUWVVSAZYPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-15-8-9-17(12-18(15)20)21-19(24)14-23-11-5-10-22(27(23,25)26)13-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24).
What are the key properties of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide?
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 407.92 g/mol, XLogP of 3.04, 5 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-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 53199056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).