5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide

C13H14BrNO2S — CID 78962266

IUPAC5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
SMILESCC(C)(CNC(=O)c1ccc(Br)o1)c1cccs1
InChIInChI=1S/C13H14BrNO2S/c1-13(2,10-4-3-7-18-10)8-15-12(16)9-5-6-11(14)17-9/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyWEIKSXYIHWSXPC-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.81
Rot. Bonds4

About 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide

5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide (PubChem CID 78962266) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
PubChem CID78962266
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
SMILESCC(C)(CNC(=O)c1ccc(Br)o1)c1cccs1
InChIInChI=1S/C13H14BrNO2S/c1-13(2,10-4-3-7-18-10)8-15-12(16)9-5-6-11(14)17-9/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyWEIKSXYIHWSXPC-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
CID 115665099
5-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624243
5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 111442034
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 80528245
5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide
CID 41088369
4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 80527456
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95983656
4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 81245260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide (CID 78962266) is 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide is CC(C)(CNC(=O)c1ccc(Br)o1)c1cccs1.
What is the InChIKey of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide?
The InChIKey is WEIKSXYIHWSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-13(2,10-4-3-7-18-10)8-15-12(16)9-5-6-11(14)17-9/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide?
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide has a molecular weight of 328.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 78962266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).