5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide

C13H14BrNO2S — CID 61380869

IUPAC5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
SMILESCCCC(NC(=O)c1ccc(Br)o1)c1cccs1
InChIInChI=1S/C13H14BrNO2S/c1-2-4-9(11-5-3-8-18-11)15-13(16)10-6-7-12(14)17-10/h3,5-9H,2,4H2,1H3,(H,15,16)
InChIKeyXLWOSHNYCGAUCB-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.37
Rot. Bonds5

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

5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide (PubChem CID 61380869) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
PubChem CID61380869
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
SMILESCCCC(NC(=O)c1ccc(Br)o1)c1cccs1
InChIInChI=1S/C13H14BrNO2S/c1-2-4-9(11-5-3-8-18-11)15-13(16)10-6-7-12(14)17-10/h3,5-9H,2,4H2,1H3,(H,15,16)
InChIKeyXLWOSHNYCGAUCB-UHFFFAOYSA-N
XLogP4.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(5-bromofuran-2-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46515294
5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide
CID 41088369
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 61381188
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
CID 62161925
2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide (CID 61380869) is 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide is CCCC(NC(=O)c1ccc(Br)o1)c1cccs1.
What is the InChIKey of 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide?
The InChIKey is XLWOSHNYCGAUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-2-4-9(11-5-3-8-18-11)15-13(16)10-6-7-12(14)17-10/h3,5-9H,2,4H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide?
5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide has a molecular weight of 328.23 g/mol, XLogP of 4.37, 5 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-2-ylbutyl)furan-2-carboxamide is sourced from PubChem (CID 61380869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).