3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide

C18H19NO3S — CID 19210572

IUPAC3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
SMILESCC(C)=CC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3S/c1-14(2)13-18(20)19(16-7-5-4-6-8-16)23(21,22)17-11-9-15(3)10-12-17/h4-13H,1-3H3
InChIKeyIYZWZQQJGDCWJE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.68
Rot. Bonds4

About 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide

3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide (PubChem CID 19210572) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
PubChem CID19210572
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
SMILESCC(C)=CC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3S/c1-14(2)13-18(20)19(16-7-5-4-6-8-16)23(21,22)17-11-9-15(3)10-12-17/h4-13H,1-3H3
InChIKeyIYZWZQQJGDCWJE-UHFFFAOYSA-N
XLogP3.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.68
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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Related Compounds

3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436
N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
CID 19210513
(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 131711845
(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212222
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 19211796
N-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide (CID 19210572) is 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide is CC(C)=CC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide?
The InChIKey is IYZWZQQJGDCWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-14(2)13-18(20)19(16-7-5-4-6-8-16)23(21,22)17-11-9-15(3)10-12-17/h4-13H,1-3H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide?
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide has a molecular weight of 329.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide is sourced from PubChem (CID 19210572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).