N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide

C13H15NO2S — CID 18194695

IUPACN-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1ccsc1
InChIInChI=1S/C13H15NO2S/c1-10(4-5-12-3-2-7-16-12)14-13(15)11-6-8-17-9-11/h2-3,6-10H,4-5H2,1H3,(H,14,15)
InChIKeyFIHCMOFRZBQJLC-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.09
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide

N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide (PubChem CID 18194695) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
PubChem CID18194695
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1ccsc1
InChIInChI=1S/C13H15NO2S/c1-10(4-5-12-3-2-7-16-12)14-13(15)11-6-8-17-9-11/h2-3,6-10H,4-5H2,1H3,(H,14,15)
InChIKeyFIHCMOFRZBQJLC-UHFFFAOYSA-N
XLogP3.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide (CID 18194695) is N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide is CC(CCc1ccco1)NC(=O)c1ccsc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide?
The InChIKey is FIHCMOFRZBQJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-10(4-5-12-3-2-7-16-12)14-13(15)11-6-8-17-9-11/h2-3,6-10H,4-5H2,1H3,(H,14,15).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 18194695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).