N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide

C15H17NO4S — CID 86782478

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCc2ccccc2)c(C)o1
InChIInChI=1S/C15H17NO4S/c1-11-10-14(12(2)20-11)21(18,19)16-15(17)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyZFIAEEHSNRIAJO-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.33
Rot. Bonds5

About N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide (PubChem CID 86782478) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide
PubChem CID86782478
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCc2ccccc2)c(C)o1
InChIInChI=1S/C15H17NO4S/c1-11-10-14(12(2)20-11)21(18,19)16-15(17)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyZFIAEEHSNRIAJO-UHFFFAOYSA-N
XLogP2.33
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide (CID 86782478) is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide is Cc1cc(S(=O)(=O)NC(=O)CCc2ccccc2)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide?
The InChIKey is ZFIAEEHSNRIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-10-14(12(2)20-11)21(18,19)16-15(17)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide has a molecular weight of 307.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-phenylpropanamide is sourced from PubChem (CID 86782478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).