methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate

C14H17NO3S — CID 82894780

IUPACmethyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCCc2ccco2)s1
InChIInChI=1S/C14H17NO3S/c1-17-14(16)9-12-4-5-13(19-12)10-15-7-6-11-3-2-8-18-11/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyMXUXAPVSFHQOTQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.39
Rot. Bonds7

About methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate (PubChem CID 82894780) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
PubChem CID82894780
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Namemethyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCCc2ccco2)s1
InChIInChI=1S/C14H17NO3S/c1-17-14(16)9-12-4-5-13(19-12)10-15-7-6-11-3-2-8-18-11/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyMXUXAPVSFHQOTQ-UHFFFAOYSA-N
XLogP2.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116
methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82895032
methyl 2-[5-[(3-ethylsulfanylpropylamino)methyl]thiophen-2-yl]acetate
CID 114247942
methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate
CID 82942790
methyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]thiophen-2-yl]acetate
CID 103933670
methyl 2-[5-[[2-(2-methylpropoxy)ethylamino]methyl]thiophen-2-yl]acetate
CID 115904857
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[[(2-bromophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894798

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate (CID 82894780) is methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCCc2ccco2)s1.
What is the InChIKey of methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
The InChIKey is MXUXAPVSFHQOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-17-14(16)9-12-4-5-13(19-12)10-15-7-6-11-3-2-8-18-11/h2-5,8,15H,6-7,9-10H2,1H3.
What are the key properties of methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate has a molecular weight of 279.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82894780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).