N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide

C17H21NO3S — CID 86914792

IUPACN-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCCCOCc2ccco2)cc1
InChIInChI=1S/C17H21NO3S/c1-22-13-14-5-7-15(8-6-14)17(19)18-9-3-10-20-12-16-4-2-11-21-16/h2,4-8,11H,3,9-10,12-13H2,1H3,(H,18,19)
InChIKeyFOWRHCCVELPKAX-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.48
Rot. Bonds9

About N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide

N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 86914792) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID86914792
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCCCOCc2ccco2)cc1
InChIInChI=1S/C17H21NO3S/c1-22-13-14-5-7-15(8-6-14)17(19)18-9-3-10-20-12-16-4-2-11-21-16/h2,4-8,11H,3,9-10,12-13H2,1H3,(H,18,19)
InChIKeyFOWRHCCVELPKAX-UHFFFAOYSA-N
XLogP3.48
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.48
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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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232
4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111398965
methyl 4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162239
5-bromo-N-[3-[3-(furan-2-ylmethoxy)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55794211
N-[2-[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111398405
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide (CID 86914792) is N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCCCOCc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is FOWRHCCVELPKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-22-13-14-5-7-15(8-6-14)17(19)18-9-3-10-20-12-16-4-2-11-21-16/h2,4-8,11H,3,9-10,12-13H2,1H3,(H,18,19).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide?
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 319.43 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 86914792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).