2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)

C14H19NO3SW — CID 20660188

IUPAC2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)
SMILESCS(=O)(=O)NC(=O)/C=C/c1[c-]cccc1.C[C-](C)C.[W+2]
InChIInChI=1S/C10H10NO3S.C4H9.W/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9;1-4(2)3;/h2-5,7-8H,1H3,(H,11,12);1-3H3;/q2*-1;+2/b8-7+;;
InChIKeyWNYXRASVJHAPAT-MIIBGCIDSA-N
MW465.22 g/mol
LogP2.19
Rot. Bonds3

About 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)

2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+) (PubChem CID 20660188) has the molecular formula C14H19NO3SW and a molecular weight of 465.22 g/mol. Its IUPAC name is 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+).

Molecular Properties

Compound Name2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)
PubChem CID20660188
Molecular FormulaC14H19NO3SW
Molecular Weight465.22 g/mol
Exact Mass465.06
IUPAC Name2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)
SMILESCS(=O)(=O)NC(=O)/C=C/c1[c-]cccc1.C[C-](C)C.[W+2]
InChIInChI=1S/C10H10NO3S.C4H9.W/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9;1-4(2)3;/h2-5,7-8H,1H3,(H,11,12);1-3H3;/q2*-1;+2/b8-7+;;
InChIKeyWNYXRASVJHAPAT-MIIBGCIDSA-N
XLogP2.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
CID 47232697
[(Z)-2-phenylethenyl]benzene
CID 101447651
(E)-3-[2-[tert-butyl(methyl)amino]phenyl]-N-methylsulfonylprop-2-enamide;ethane
CID 90947230
lithium [(1Z,3Z)-4-iodo-5,5-dimethylhexa-1,3-dienyl]benzene
CID 10425987
calcium;bis(2-methylpropane);N-phenylcarbamate
CID 87412157
3-phenyl-N-(3-prop-1-enylbenzene-4-id-1-yl)prop-2-enamide;tris(yttrium)
CID 140645971
2-[(E)-2-phenylethenyl]benzaldehyde;yttrium
CID 155769853
(E)-4-amino-N-methylsulfonylbut-2-enamide
CID 130533357
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
4-chloro-N-methylsulfonyl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]benzamide
CID 25064762
4-[[(E)-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoyl]sulfamoyl]benzoic acid
CID 10230505
phenylmethylideneazanide;yttrium
CID 58999598

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)?
The IUPAC name of 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+) (CID 20660188) is 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+).
What is the SMILES notation for 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)?
The canonical SMILES for 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+) is CS(=O)(=O)NC(=O)/C=C/c1[c-]cccc1.C[C-](C)C.[W+2].
What is the InChIKey of 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)?
The InChIKey is WNYXRASVJHAPAT-MIIBGCIDSA-N. The full InChI is InChI=1S/C10H10NO3S.C4H9.W/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9;1-4(2)3;/h2-5,7-8H,1H3,(H,11,12);1-3H3;/q2*-1;+2/b8-7+;;.
What are the key properties of 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+)?
2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+) has a molecular weight of 465.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(E)-N-methylsulfonyl-3-phenylprop-2-enamide;tungsten(2+) is sourced from PubChem (CID 20660188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).