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

C16H19NO3S — CID 78832996

IUPACN-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCCOCc2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-21-15-7-5-13(6-8-15)16(18)17-9-3-10-19-12-14-4-2-11-20-14/h2,4-8,11H,3,9-10,12H2,1H3,(H,17,18)
InChIKeyQAXHVYSMGJHPIB-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.34
Rot. Bonds8

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

N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide (PubChem CID 78832996) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
PubChem CID78832996
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCCOCc2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-21-15-7-5-13(6-8-15)16(18)17-9-3-10-19-12-14-4-2-11-20-14/h2,4-8,11H,3,9-10,12H2,1H3,(H,17,18)
InChIKeyQAXHVYSMGJHPIB-UHFFFAOYSA-N
XLogP3.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.34
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-(methylsulfanylmethyl)benzamide
CID 86914792
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
3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43110405
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-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471609
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide (CID 78832996) is N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCCCOCc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide?
The InChIKey is QAXHVYSMGJHPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-21-15-7-5-13(6-8-15)16(18)17-9-3-10-19-12-14-4-2-11-20-14/h2,4-8,11H,3,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide?
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide has a molecular weight of 305.40 g/mol, XLogP of 3.34, 8 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-methylsulfanylbenzamide is sourced from PubChem (CID 78832996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).