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

C15H13BrN2O2S — CID 2156379

IUPAC5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2S/c16-14-6-5-12(20-14)15(19)17-7-8-21-13-9-18-11-4-2-1-3-10(11)13/h1-6,9,18H,7-8H2,(H,17,19)
InChIKeyGYSPTSJMEMQPTE-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.05
Rot. Bonds5

About 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide (PubChem CID 2156379) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
PubChem CID2156379
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2S/c16-14-6-5-12(20-14)15(19)17-7-8-21-13-9-18-11-4-2-1-3-10(11)13/h1-6,9,18H,7-8H2,(H,17,19)
InChIKeyGYSPTSJMEMQPTE-UHFFFAOYSA-N
XLogP4.05
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.05
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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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 744531
N-[4-(1,3-benzothiazol-2-yl)benzyl]-5-bromo-2-furamide
CID 1254658
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156387
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4145602
5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamide
CID 4321221
5-bromo-N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)furan-2-carboxamide
CID 5310112
5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310501
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 4789324
2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
CID 16194334
5-bromo-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]furan-2-carboxamide
CID 2156445

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide (CID 2156379) is 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide is O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
The InChIKey is GYSPTSJMEMQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-14-6-5-12(20-14)15(19)17-7-8-21-13-9-18-11-4-2-1-3-10(11)13/h1-6,9,18H,7-8H2,(H,17,19).
What are the key properties of 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2156379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).