2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C15H20Cl2N2O3S — CID 17496894

IUPAC2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3S/c1-15(5-6-23(21,22)10-15)18-14(20)9-19(2)8-11-3-4-12(16)13(17)7-11/h3-4,7H,5-6,8-10H2,1-2H3,(H,18,20)
InChIKeyNDEWYZUWKYQIIR-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.12
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 17496894) has the molecular formula C15H20Cl2N2O3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID17496894
Molecular FormulaC15H20Cl2N2O3S
Molecular Weight379.31 g/mol
Exact Mass378.06
IUPAC Name2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3S/c1-15(5-6-23(21,22)10-15)18-14(20)9-19(2)8-11-3-4-12(16)13(17)7-11/h3-4,7H,5-6,8-10H2,1-2H3,(H,18,20)
InChIKeyNDEWYZUWKYQIIR-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 17496894) is 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CN(CC(=O)NC1(C)CCS(=O)(=O)C1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is NDEWYZUWKYQIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3S/c1-15(5-6-23(21,22)10-15)18-14(20)9-19(2)8-11-3-4-12(16)13(17)7-11/h3-4,7H,5-6,8-10H2,1-2H3,(H,18,20).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 379.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 17496894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).