2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide

C16H27NO4SSi — CID 91699682

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO4SSi/c1-12-8-10-14(11-9-12)22(19,20)17-15(18)13(2)21-23(6,7)16(3,4)5/h8-11,13H,1-7H3,(H,17,18)
InChIKeySLJHANJJEGJQRQ-UHFFFAOYSA-N
MW357.55 g/mol
LogP3.21
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide

2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 91699682) has the molecular formula C16H27NO4SSi and a molecular weight of 357.55 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID91699682
Molecular FormulaC16H27NO4SSi
Molecular Weight357.55 g/mol
Exact Mass357.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO4SSi/c1-12-8-10-14(11-9-12)22(19,20)17-15(18)13(2)21-23(6,7)16(3,4)5/h8-11,13H,1-7H3,(H,17,18)
InChIKeySLJHANJJEGJQRQ-UHFFFAOYSA-N
XLogP3.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide (CID 91699682) is 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)NC(=O)C(C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is SLJHANJJEGJQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4SSi/c1-12-8-10-14(11-9-12)22(19,20)17-15(18)13(2)21-23(6,7)16(3,4)5/h8-11,13H,1-7H3,(H,17,18).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide?
2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 357.55 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 91699682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).