2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide

C17H24Cl2N2O4S — CID 78825785

IUPAC2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CNC(C)c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24Cl2N2O4S/c1-12(15-4-3-13(18)9-16(15)19)20-10-17(22)21(6-7-25-2)14-5-8-26(23,24)11-14/h3-4,9,12,14,20H,5-8,10-11H2,1-2H3
InChIKeyKKQKNWVTZNGDHV-UHFFFAOYSA-N
MW423.36 g/mol
LogP2.31
Rot. Bonds8

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

2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 78825785) has the molecular formula C17H24Cl2N2O4S and a molecular weight of 423.36 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID78825785
Molecular FormulaC17H24Cl2N2O4S
Molecular Weight423.36 g/mol
Exact Mass422.08
IUPAC Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CNC(C)c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24Cl2N2O4S/c1-12(15-4-3-13(18)9-16(15)19)20-10-17(22)21(6-7-25-2)14-5-8-26(23,24)11-14/h3-4,9,12,14,20H,5-8,10-11H2,1-2H3
InChIKeyKKQKNWVTZNGDHV-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-methoxyethyl)urea
CID 7222566
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)acetamide
CID 8986774
1-(2,4-dichlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 54915725
2-[1-(2-chlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 78826405
(E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 127124798
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62727218
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003507
N-(4-amino-3-chlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)oxamide
CID 108516105
N-benzhydryl-N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)oxamide
CID 108508056
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860
methyl 3-[[2-(4-chlorophenyl)acetyl]-[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 39884789

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide (CID 78825785) is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide is COCCN(C(=O)CNC(C)c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is KKQKNWVTZNGDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O4S/c1-12(15-4-3-13(18)9-16(15)19)20-10-17(22)21(6-7-25-2)14-5-8-26(23,24)11-14/h3-4,9,12,14,20H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 423.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 78825785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).