2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide

C14H20N2O5S — CID 2272508

IUPAC2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S/c1-5-8-15-14(17)10-16(22(4,18)19)12-7-6-11(20-2)9-13(12)21-3/h5-7,9H,1,8,10H2,2-4H3,(H,15,17)
InChIKeyVSSFNBNMVGXUOP-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.77
Rot. Bonds8

About 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide (PubChem CID 2272508) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide
PubChem CID2272508
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S/c1-5-8-15-14(17)10-16(22(4,18)19)12-7-6-11(20-2)9-13(12)21-3/h5-7,9H,1,8,10H2,2-4H3,(H,15,17)
InChIKeyVSSFNBNMVGXUOP-UHFFFAOYSA-N
XLogP0.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide (CID 2272508) is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The InChIKey is VSSFNBNMVGXUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-5-8-15-14(17)10-16(22(4,18)19)12-7-6-11(20-2)9-13(12)21-3/h5-7,9H,1,8,10H2,2-4H3,(H,15,17).
What are the key properties of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide has a molecular weight of 328.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 2272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).