N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

C20H25N3O3S — CID 20921416

IUPACN-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)S2(=O)=O)c1
InChIInChI=1S/C20H25N3O3S/c1-15-5-4-6-18(11-15)13-22-9-10-23(27(22,25)26)14-20(24)21-19-8-7-16(2)17(3)12-19/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,21,24)
InChIKeyVNXSKHFJEWWMFL-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.61
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (PubChem CID 20921416) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
PubChem CID20921416
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)S2(=O)=O)c1
InChIInChI=1S/C20H25N3O3S/c1-15-5-4-6-18(11-15)13-22-9-10-23(27(22,25)26)14-20(24)21-19-8-7-16(2)17(3)12-19/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,21,24)
InChIKeyVNXSKHFJEWWMFL-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[5-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46279672
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46343722
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-(3-chloro-4-methylphenyl)acetamide
CID 53199056
2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(3-chlorophenyl)acetamide
CID 46343883
N-benzyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53029107
N-(3,5-dimethylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199093
2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(3-fluorophenyl)acetamide
CID 46343891
N-(2,4-dimethoxyphenyl)-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 18590916
N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952521
2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 46279768
N-(3-fluorophenyl)-2-[5-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46506621

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (CID 20921416) is N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)S2(=O)=O)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The InChIKey is VNXSKHFJEWWMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-5-4-6-18(11-15)13-22-9-10-23(27(22,25)26)14-20(24)21-19-8-7-16(2)17(3)12-19/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is sourced from PubChem (CID 20921416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).