2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide

C14H17NO3S — CID 11219710

IUPAC2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C(=C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO3S/c1-5-10-15(14(16)11(2)3)19(17,18)13-8-6-12(4)7-9-13/h5-9H,1-2,10H2,3-4H3
InChIKeyYWXXGIPFOWUCLN-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.27
Rot. Bonds5

About 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide

2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide (PubChem CID 11219710) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide
PubChem CID11219710
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C(=C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17NO3S/c1-5-10-15(14(16)11(2)3)19(17,18)13-8-6-12(4)7-9-13/h5-9H,1-2,10H2,3-4H3
InChIKeyYWXXGIPFOWUCLN-UHFFFAOYSA-N
XLogP2.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide (CID 11219710) is 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide is C=CCN(C(=O)C(=C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide?
The InChIKey is YWXXGIPFOWUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-5-10-15(14(16)11(2)3)19(17,18)13-8-6-12(4)7-9-13/h5-9H,1-2,10H2,3-4H3.
What are the key properties of 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide?
2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide has a molecular weight of 279.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)sulfonyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 11219710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).