2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide

C15H18Cl2N2O3S — CID 88823239

IUPAC2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide
SMILESO=C(NSCCCN1CCOCC1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O3S/c16-12-3-2-11(10-13(12)17)14(20)15(21)18-23-9-1-4-19-5-7-22-8-6-19/h2-3,10H,1,4-9H2,(H,18,21)
InChIKeyVUEHRNMQGIIYRB-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.66
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide

2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide (PubChem CID 88823239) has the molecular formula C15H18Cl2N2O3S and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide
PubChem CID88823239
Molecular FormulaC15H18Cl2N2O3S
Molecular Weight377.29 g/mol
Exact Mass376.04
IUPAC Name2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide
SMILESO=C(NSCCCN1CCOCC1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O3S/c16-12-3-2-11(10-13(12)17)14(20)15(21)18-23-9-1-4-19-5-7-22-8-6-19/h2-3,10H,1,4-9H2,(H,18,21)
InChIKeyVUEHRNMQGIIYRB-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide (CID 88823239) is 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide is O=C(NSCCCN1CCOCC1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide?
The InChIKey is VUEHRNMQGIIYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3S/c16-12-3-2-11(10-13(12)17)14(20)15(21)18-23-9-1-4-19-5-7-22-8-6-19/h2-3,10H,1,4-9H2,(H,18,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide?
2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide has a molecular weight of 377.29 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropylsulfanyl)-2-oxoacetamide is sourced from PubChem (CID 88823239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).