5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid

C13H13NO4S — CID 113432279

IUPAC5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
SMILESCCC(NC(=O)c1cc(C(=O)O)co1)c1cccs1
InChIInChI=1S/C13H13NO4S/c1-2-9(11-4-3-5-19-11)14-12(15)10-6-8(7-18-10)13(16)17/h3-7,9H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyRLSAQYARTWARFP-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.92
Rot. Bonds5

About 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid

5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid (PubChem CID 113432279) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
PubChem CID113432279
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
SMILESCCC(NC(=O)c1cc(C(=O)O)co1)c1cccs1
InChIInChI=1S/C13H13NO4S/c1-2-9(11-4-3-5-19-11)14-12(15)10-6-8(7-18-10)13(16)17/h3-7,9H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyRLSAQYARTWARFP-UHFFFAOYSA-N
XLogP2.92
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517

Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid (CID 113432279) is 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid is CCC(NC(=O)c1cc(C(=O)O)co1)c1cccs1.
What is the InChIKey of 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is RLSAQYARTWARFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-2-9(11-4-3-5-19-11)14-12(15)10-6-8(7-18-10)13(16)17/h3-7,9H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid?
5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 113432279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).