N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide

C17H15NO2S — CID 1245893

IUPACN-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NCc2ccco2)c1-c1ccccc1
InChIInChI=1S/C17H15NO2S/c1-12-16(13-6-3-2-4-7-13)15(11-21-12)17(19)18-10-14-8-5-9-20-14/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyJQEFTCJFMFNWAJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.25
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide

N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide (PubChem CID 1245893) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide
PubChem CID1245893
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NCc2ccco2)c1-c1ccccc1
InChIInChI=1S/C17H15NO2S/c1-12-16(13-6-3-2-4-7-13)15(11-21-12)17(19)18-10-14-8-5-9-20-14/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyJQEFTCJFMFNWAJ-UHFFFAOYSA-N
XLogP4.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide (CID 1245893) is N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide is Cc1scc(C(=O)NCc2ccco2)c1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide?
The InChIKey is JQEFTCJFMFNWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-12-16(13-6-3-2-4-7-13)15(11-21-12)17(19)18-10-14-8-5-9-20-14/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide?
N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 1245893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).