2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

C17H15Cl2FN2OS — CID 126153887

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FN2OS/c1-11(12-5-7-13(20)8-6-12)21-22-17(23)10-24-9-14-15(18)3-2-4-16(14)19/h2-8H,9-10H2,1H3,(H,22,23)/b21-11-
InChIKeyVJWJCEIDFLUDOO-NHDPSOOVSA-N
MW385.29 g/mol
LogP4.91
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 126153887) has the molecular formula C17H15Cl2FN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID126153887
Molecular FormulaC17H15Cl2FN2OS
Molecular Weight385.29 g/mol
Exact Mass384.03
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FN2OS/c1-11(12-5-7-13(20)8-6-12)21-22-17(23)10-24-9-14-15(18)3-2-4-16(14)19/h2-8H,9-10H2,1H3,(H,22,23)/b21-11-
InChIKeyVJWJCEIDFLUDOO-NHDPSOOVSA-N
XLogP4.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide (CID 126153887) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is VJWJCEIDFLUDOO-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H15Cl2FN2OS/c1-11(12-5-7-13(20)8-6-12)21-22-17(23)10-24-9-14-15(18)3-2-4-16(14)19/h2-8H,9-10H2,1H3,(H,22,23)/b21-11-.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 385.29 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 126153887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).