2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C16H18ClNO2S2 — CID 2289502

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCCSCc1ccco1
InChIInChI=1S/C16H18ClNO2S2/c17-14-5-3-13(4-6-14)10-22-12-16(19)18-7-9-21-11-15-2-1-8-20-15/h1-6,8H,7,9-12H2,(H,18,19)
InChIKeyKVAVSAHITVFZTP-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.22
Rot. Bonds9

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2289502) has the molecular formula C16H18ClNO2S2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2289502
Molecular FormulaC16H18ClNO2S2
Molecular Weight355.91 g/mol
Exact Mass355.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCCSCc1ccco1
InChIInChI=1S/C16H18ClNO2S2/c17-14-5-3-13(4-6-14)10-22-12-16(19)18-7-9-21-11-15-2-1-8-20-15/h1-6,8H,7,9-12H2,(H,18,19)
InChIKeyKVAVSAHITVFZTP-UHFFFAOYSA-N
XLogP4.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.22
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 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2289502) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccco1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is KVAVSAHITVFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S2/c17-14-5-3-13(4-6-14)10-22-12-16(19)18-7-9-21-11-15-2-1-8-20-15/h1-6,8H,7,9-12H2,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 355.91 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2289502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).