5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide

C11H10BrNO2S — CID 62843541

IUPAC5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)c1ccsc1
InChIInChI=1S/C11H10BrNO2S/c1-7(8-4-5-16-6-8)13-11(14)9-2-3-10(12)15-9/h2-7H,1H3,(H,13,14)
InChIKeyUWDLNWUTJPRRRN-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide

5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide (PubChem CID 62843541) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
PubChem CID62843541
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)c1ccsc1
InChIInChI=1S/C11H10BrNO2S/c1-7(8-4-5-16-6-8)13-11(14)9-2-3-10(12)15-9/h2-7H,1H3,(H,13,14)
InChIKeyUWDLNWUTJPRRRN-UHFFFAOYSA-N
XLogP3.59
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 55709298
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 8003959
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 104652974
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide (CID 62843541) is 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(Br)o1)c1ccsc1.
What is the InChIKey of 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide?
The InChIKey is UWDLNWUTJPRRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-7(8-4-5-16-6-8)13-11(14)9-2-3-10(12)15-9/h2-7H,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide?
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 62843541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).