N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C15H17NO2S — CID 1082885

IUPACN-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17NO2S/c1-12-4-6-13(7-5-12)10-19-11-15(17)16-9-14-3-2-8-18-14/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyHTIGJTMIFWCYCH-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.14
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 1082885) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID1082885
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17NO2S/c1-12-4-6-13(7-5-12)10-19-11-15(17)16-9-14-3-2-8-18-14/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyHTIGJTMIFWCYCH-UHFFFAOYSA-N
XLogP3.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 1082885) is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is HTIGJTMIFWCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-12-4-6-13(7-5-12)10-19-11-15(17)16-9-14-3-2-8-18-14/h2-8H,9-11H2,1H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 275.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 1082885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).