N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide

C12H19NO4S — CID 75497647

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCC(C)C)c(C)o1
InChIInChI=1S/C12H19NO4S/c1-8(2)5-6-12(14)13-18(15,16)11-7-9(3)17-10(11)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyWOKJPNUUVPLUBM-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.14
Rot. Bonds5

About N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide (PubChem CID 75497647) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide
PubChem CID75497647
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCC(C)C)c(C)o1
InChIInChI=1S/C12H19NO4S/c1-8(2)5-6-12(14)13-18(15,16)11-7-9(3)17-10(11)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyWOKJPNUUVPLUBM-UHFFFAOYSA-N
XLogP2.14
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.14
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-4-methylpentanamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide (CID 75497647) is N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide is Cc1cc(S(=O)(=O)NC(=O)CCC(C)C)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide?
The InChIKey is WOKJPNUUVPLUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-8(2)5-6-12(14)13-18(15,16)11-7-9(3)17-10(11)4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-4-methylpentanamide has a molecular weight of 273.35 g/mol, XLogP of 2.14, 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-4-methylpentanamide is sourced from PubChem (CID 75497647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).