N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide

C16H19NO4S — CID 86794962

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(S(=O)(=O)NC(=O)Cc2c(C)cccc2C)c(C)o1
InChIInChI=1S/C16H19NO4S/c1-10-6-5-7-11(2)14(10)9-16(18)17-22(19,20)15-8-12(3)21-13(15)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyRXBZOTGGMSCDGZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.56
Rot. Bonds4

About N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide (PubChem CID 86794962) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide
PubChem CID86794962
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(S(=O)(=O)NC(=O)Cc2c(C)cccc2C)c(C)o1
InChIInChI=1S/C16H19NO4S/c1-10-6-5-7-11(2)14(10)9-16(18)17-22(19,20)15-8-12(3)21-13(15)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyRXBZOTGGMSCDGZ-UHFFFAOYSA-N
XLogP2.56
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.56
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-2-(2,6-dimethylphenyl)acetamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide (CID 86794962) is N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide is Cc1cc(S(=O)(=O)NC(=O)Cc2c(C)cccc2C)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide?
The InChIKey is RXBZOTGGMSCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-10-6-5-7-11(2)14(10)9-16(18)17-22(19,20)15-8-12(3)21-13(15)4/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(2,6-dimethylphenyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.56, 4 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-2-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 86794962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).