N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide

C12H13NO2S — CID 9404152

IUPACN-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1ccco1
InChIInChI=1S/C12H13NO2S/c1-9-5-8-16-11(9)12(14)13-6-4-10-3-2-7-15-10/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)
InChIKeyKIKUMXNORRHASH-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide

N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 9404152) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID9404152
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1ccco1
InChIInChI=1S/C12H13NO2S/c1-9-5-8-16-11(9)12(14)13-6-4-10-3-2-7-15-10/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)
InChIKeyKIKUMXNORRHASH-UHFFFAOYSA-N
XLogP2.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide (CID 9404152) is N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is KIKUMXNORRHASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-9-5-8-16-11(9)12(14)13-6-4-10-3-2-7-15-10/h2-3,5,7-8H,4,6H2,1H3,(H,13,14).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide?
N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 9404152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).