N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide

C16H24ClNO3SSi — CID 91742350

IUPACN-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide
SMILESC=CCC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3SSi/c1-7-8-15(19)18(23(5,6)16(2,3)4)22(20,21)14-11-9-13(17)10-12-14/h7,9-12H,1,8H2,2-6H3
InChIKeyZDFCOIXQTAUXGU-UHFFFAOYSA-N
MW373.98 g/mol
LogP4.44
Rot. Bonds5

About N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide

N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide (PubChem CID 91742350) has the molecular formula C16H24ClNO3SSi and a molecular weight of 373.98 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide
PubChem CID91742350
Molecular FormulaC16H24ClNO3SSi
Molecular Weight373.98 g/mol
Exact Mass373.09
IUPAC NameN-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide
SMILESC=CCC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3SSi/c1-7-8-15(19)18(23(5,6)16(2,3)4)22(20,21)14-11-9-13(17)10-12-14/h7,9-12H,1,8H2,2-6H3
InChIKeyZDFCOIXQTAUXGU-UHFFFAOYSA-N
XLogP4.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.98
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide (CID 91742350) is N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide is C=CCC(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide?
The InChIKey is ZDFCOIXQTAUXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3SSi/c1-7-8-15(19)18(23(5,6)16(2,3)4)22(20,21)14-11-9-13(17)10-12-14/h7,9-12H,1,8H2,2-6H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide?
N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide has a molecular weight of 373.98 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-N-(4-chlorophenyl)sulfonylbut-3-enamide is sourced from PubChem (CID 91742350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).