N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide

C15H25NO4S — CID 56790134

IUPACN-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
SMILESCCc1ccc(C(NC(=O)CCS(C)(=O)=O)C(C)(C)C)o1
InChIInChI=1S/C15H25NO4S/c1-6-11-7-8-12(20-11)14(15(2,3)4)16-13(17)9-10-21(5,18)19/h7-8,14H,6,9-10H2,1-5H3,(H,16,17)
InChIKeyHIHVFKSCRLEACK-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.48
Rot. Bonds6

About N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide

N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide (PubChem CID 56790134) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
PubChem CID56790134
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
SMILESCCc1ccc(C(NC(=O)CCS(C)(=O)=O)C(C)(C)C)o1
InChIInChI=1S/C15H25NO4S/c1-6-11-7-8-12(20-11)14(15(2,3)4)16-13(17)9-10-21(5,18)19/h7-8,14H,6,9-10H2,1-5H3,(H,16,17)
InChIKeyHIHVFKSCRLEACK-UHFFFAOYSA-N
XLogP2.48
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide (CID 56790134) is N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide is CCc1ccc(C(NC(=O)CCS(C)(=O)=O)C(C)(C)C)o1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
The InChIKey is HIHVFKSCRLEACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-6-11-7-8-12(20-11)14(15(2,3)4)16-13(17)9-10-21(5,18)19/h7-8,14H,6,9-10H2,1-5H3,(H,16,17).
What are the key properties of N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 56790134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).