4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide

C21H23NO3S — CID 55660950

IUPAC4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(COCc3ccco3)c2)sc1C
InChIInChI=1S/C21H23NO3S/c1-3-18-11-20(26-15(18)2)21(23)22-12-16-6-4-7-17(10-16)13-24-14-19-8-5-9-25-19/h4-11H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyMPPHWARVWUXHAE-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.86
Rot. Bonds8

About 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 55660950) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID55660950
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(COCc3ccco3)c2)sc1C
InChIInChI=1S/C21H23NO3S/c1-3-18-11-20(26-15(18)2)21(23)22-12-16-6-4-7-17(10-16)13-24-14-19-8-5-9-25-19/h4-11H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyMPPHWARVWUXHAE-UHFFFAOYSA-N
XLogP4.86
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 46470427
N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
CID 33189454
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55660962
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide (CID 55660950) is 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCc2cccc(COCc3ccco3)c2)sc1C.
What is the InChIKey of 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is MPPHWARVWUXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-3-18-11-20(26-15(18)2)21(23)22-12-16-6-4-7-17(10-16)13-24-14-19-8-5-9-25-19/h4-11H,3,12-14H2,1-2H3,(H,22,23).
What are the key properties of 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 55660950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).