N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide

C15H14N2O2S — CID 2156387

IUPACN-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C15H14N2O2S/c18-15(13-6-3-8-19-13)16-7-9-20-14-10-17-12-5-2-1-4-11(12)14/h1-6,8,10,17H,7,9H2,(H,16,18)
InChIKeyFIQHBKFMBSIODV-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide

N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide (PubChem CID 2156387) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
PubChem CID2156387
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C15H14N2O2S/c18-15(13-6-3-8-19-13)16-7-9-20-14-10-17-12-5-2-1-4-11(12)14/h1-6,8,10,17H,7,9H2,(H,16,18)
InChIKeyFIQHBKFMBSIODV-UHFFFAOYSA-N
XLogP3.28
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide (CID 2156387) is N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide is O=C(NCCSc1c[nH]c2ccccc12)c1ccco1.
What is the InChIKey of N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
The InChIKey is FIQHBKFMBSIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-15(13-6-3-8-19-13)16-7-9-20-14-10-17-12-5-2-1-4-11(12)14/h1-6,8,10,17H,7,9H2,(H,16,18).
What are the key properties of N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2156387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).