4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol

C18H19NO2S — CID 54167103

IUPAC4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol
SMILESCCc1ccc(N(C)c2coc(-c3cccs3)c2O)cc1C
InChIInChI=1S/C18H19NO2S/c1-4-13-7-8-14(10-12(13)2)19(3)15-11-21-18(17(15)20)16-6-5-9-22-16/h5-11,20H,4H2,1-3H3
InChIKeyOSKMEYYYRNRBCK-UHFFFAOYSA-N
MW313.42 g/mol
LogP5.35
Rot. Bonds4

About 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol

4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol (PubChem CID 54167103) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol.

Molecular Properties

Compound Name4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol
PubChem CID54167103
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol
SMILESCCc1ccc(N(C)c2coc(-c3cccs3)c2O)cc1C
InChIInChI=1S/C18H19NO2S/c1-4-13-7-8-14(10-12(13)2)19(3)15-11-21-18(17(15)20)16-6-5-9-22-16/h5-11,20H,4H2,1-3H3
InChIKeyOSKMEYYYRNRBCK-UHFFFAOYSA-N
XLogP5.35
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol?
The IUPAC name of 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol (CID 54167103) is 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol.
What is the SMILES notation for 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol?
The canonical SMILES for 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol is CCc1ccc(N(C)c2coc(-c3cccs3)c2O)cc1C.
What is the InChIKey of 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol?
The InChIKey is OSKMEYYYRNRBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-4-13-7-8-14(10-12(13)2)19(3)15-11-21-18(17(15)20)16-6-5-9-22-16/h5-11,20H,4H2,1-3H3.
What are the key properties of 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol?
4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol has a molecular weight of 313.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol is sourced from PubChem (CID 54167103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).