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

C15H15F2NO2S2 — CID 18275099

IUPAC4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H15F2NO2S2/c16-15(17)22-13-5-3-11(4-6-13)14(19)18-7-9-21-10-12-2-1-8-20-12/h1-6,8,15H,7,9-10H2,(H,18,19)
InChIKeyTWXSHSYOANJWDX-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.26
Rot. Bonds8

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

4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 18275099) has the molecular formula C15H15F2NO2S2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID18275099
Molecular FormulaC15H15F2NO2S2
Molecular Weight343.42 g/mol
Exact Mass343.05
IUPAC Name4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H15F2NO2S2/c16-15(17)22-13-5-3-11(4-6-13)14(19)18-7-9-21-10-12-2-1-8-20-12/h1-6,8,15H,7,9-10H2,(H,18,19)
InChIKeyTWXSHSYOANJWDX-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (CID 18275099) is 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1ccco1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is TWXSHSYOANJWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S2/c16-15(17)22-13-5-3-11(4-6-13)14(19)18-7-9-21-10-12-2-1-8-20-12/h1-6,8,15H,7,9-10H2,(H,18,19).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 18275099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).