2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

C16H20N2O4S — CID 816022

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(CC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-12-6-4-7-13(2)16(12)18(23(3,20)21)11-15(19)17-10-14-8-5-9-22-14/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyVDKIFEFLGGLGSF-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.98
Rot. Bonds6

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 816022) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID816022
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(CC(=O)NCc1ccco1)S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-12-6-4-7-13(2)16(12)18(23(3,20)21)11-15(19)17-10-14-8-5-9-22-14/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyVDKIFEFLGGLGSF-UHFFFAOYSA-N
XLogP1.98
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (CID 816022) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is Cc1cccc(C)c1N(CC(=O)NCc1ccco1)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VDKIFEFLGGLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-6-4-7-13(2)16(12)18(23(3,20)21)11-15(19)17-10-14-8-5-9-22-14/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 816022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).