N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide

C12H15NO3S — CID 166437221

IUPACN,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESC=C(C)C(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3S/c1-9(2)12(14)13(4)17(15,16)11-7-5-10(3)6-8-11/h5-8H,1H2,2-4H3
InChIKeyVVNZWKVFCKGWQR-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.72
Rot. Bonds3

About N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide

N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide (PubChem CID 166437221) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide
PubChem CID166437221
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESC=C(C)C(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3S/c1-9(2)12(14)13(4)17(15,16)11-7-5-10(3)6-8-11/h5-8H,1H2,2-4H3
InChIKeyVVNZWKVFCKGWQR-UHFFFAOYSA-N
XLogP1.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide?
The IUPAC name of N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide (CID 166437221) is N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide is C=C(C)C(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide?
The InChIKey is VVNZWKVFCKGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-9(2)12(14)13(4)17(15,16)11-7-5-10(3)6-8-11/h5-8H,1H2,2-4H3.
What are the key properties of N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide?
N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide has a molecular weight of 253.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 166437221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).