N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide

C15H19NO2S — CID 86950498

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2cc(C)oc2C)cc1C
InChIInChI=1S/C15H19NO2S/c1-5-13-9(2)6-14(19-13)15(17)16-8-12-7-10(3)18-11(12)4/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyDUNZVVOFTXVJEE-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.76
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 86950498) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID86950498
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2cc(C)oc2C)cc1C
InChIInChI=1S/C15H19NO2S/c1-5-13-9(2)6-14(19-13)15(17)16-8-12-7-10(3)18-11(12)4/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyDUNZVVOFTXVJEE-UHFFFAOYSA-N
XLogP3.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 86950498) is N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NCc2cc(C)oc2C)cc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is DUNZVVOFTXVJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-5-13-9(2)6-14(19-13)15(17)16-8-12-7-10(3)18-11(12)4/h6-7H,5,8H2,1-4H3,(H,16,17).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 86950498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).