2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C16H24N2O4S — CID 2916325

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)c1C
InChIInChI=1S/C16H24N2O4S/c1-12-6-4-8-15(13(12)2)18(23(3,20)21)11-16(19)17-10-14-7-5-9-22-14/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,17,19)
InChIKeySYBWQNOOJIVHRN-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.36
Rot. Bonds6

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2916325) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2916325
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)c1C
InChIInChI=1S/C16H24N2O4S/c1-12-6-4-8-15(13(12)2)18(23(3,20)21)11-16(19)17-10-14-7-5-9-22-14/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,17,19)
InChIKeySYBWQNOOJIVHRN-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 2916325) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SYBWQNOOJIVHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-6-4-8-15(13(12)2)18(23(3,20)21)11-16(19)17-10-14-7-5-9-22-14/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2916325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).