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

C14H15NO2S — CID 2823314

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h1-7,9H,8,10-11H2,(H,15,16)
InChIKeyQLVJAPWKBRXUOG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.94
Rot. Bonds6

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 2823314) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID2823314
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h1-7,9H,8,10-11H2,(H,15,16)
InChIKeyQLVJAPWKBRXUOG-UHFFFAOYSA-N
XLogP2.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.94
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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Related Compounds

N-(2-Furylmethyl)benzamide
CID 236716
2-((2-Furanylmethyl)sulfinyl)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide
CID 130145
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-(furan-2-yl)prop-2-enamide
CID 5975659
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
(2E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
2-fluoro-N-(2-furylmethyl)benzamide
CID 784948
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
3-Furan-2-yl-N-[2-(4-methoxy-phenyl)-ethyl]-acrylamide
CID 963760
2-Cyano-3-(2-furyl)-N-(1-phenylethyl)acrylamide
CID 5760267
N-(1-Benzyl-propyl)-3-furan-2-yl-acrylamide
CID 5762726
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (CID 2823314) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1ccco1)c1ccccc1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is QLVJAPWKBRXUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h1-7,9H,8,10-11H2,(H,15,16).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 261.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 2823314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).