N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide

C13H13NO2S — CID 800685

IUPACN-(furan-2-ylmethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1ccco1
InChIInChI=1S/C13H13NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-8H,9-10H2,(H,14,15)
InChIKeyBPIASVWLNHWJTN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.69
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide

N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide (PubChem CID 800685) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-phenylsulfanylacetamide
PubChem CID800685
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-(furan-2-ylmethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1ccco1
InChIInChI=1S/C13H13NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-8H,9-10H2,(H,14,15)
InChIKeyBPIASVWLNHWJTN-UHFFFAOYSA-N
XLogP2.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.69
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-phenylsulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide (CID 800685) is N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide?
The InChIKey is BPIASVWLNHWJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-8H,9-10H2,(H,14,15).
What are the key properties of N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide?
N-(furan-2-ylmethyl)-2-phenylsulfanylacetamide has a molecular weight of 247.32 g/mol, XLogP of 2.69, 5 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-phenylsulfanylacetamide is sourced from PubChem (CID 800685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).