2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide

C14H13Cl2NO2S — CID 2287615

IUPAC2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-10-3-4-12(13(16)8-10)14(18)17-5-7-20-9-11-2-1-6-19-11/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyBPCQYVWFESPSJC-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.25
Rot. Bonds6

About 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide

2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 2287615) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID2287615
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-10-3-4-12(13(16)8-10)14(18)17-5-7-20-9-11-2-1-6-19-11/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyBPCQYVWFESPSJC-UHFFFAOYSA-N
XLogP4.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (CID 2287615) is 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is BPCQYVWFESPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-10-3-4-12(13(16)8-10)14(18)17-5-7-20-9-11-2-1-6-19-11/h1-4,6,8H,5,7,9H2,(H,17,18).
What are the key properties of 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 330.24 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 2287615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).