2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide

C8H11NO4S — CID 154834918

IUPAC2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)NS(C)(=O)=O
InChIInChI=1S/C8H11NO4S/c1-5-4-13-6(2)7(5)8(10)9-14(3,11)12/h4H,1-3H3,(H,9,10)
InChIKeyHJGKHDUGCWKRJM-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.59
Rot. Bonds2

About 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide

2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide (PubChem CID 154834918) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide
PubChem CID154834918
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)NS(C)(=O)=O
InChIInChI=1S/C8H11NO4S/c1-5-4-13-6(2)7(5)8(10)9-14(3,11)12/h4H,1-3H3,(H,9,10)
InChIKeyHJGKHDUGCWKRJM-UHFFFAOYSA-N
XLogP0.59
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide (CID 154834918) is 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide is Cc1coc(C)c1C(=O)NS(C)(=O)=O.
What is the InChIKey of 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide?
The InChIKey is HJGKHDUGCWKRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-5-4-13-6(2)7(5)8(10)9-14(3,11)12/h4H,1-3H3,(H,9,10).
What are the key properties of 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide?
2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide has a molecular weight of 217.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-methylsulfonylfuran-3-carboxamide is sourced from PubChem (CID 154834918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).