N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide

C16H24N2O3SSi — CID 66973773

IUPACN-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide
SMILESCNS(=O)(=O)CCc1ccc(NC(C)=O)c(C#C[Si](C)(C)C)c1
InChIInChI=1S/C16H24N2O3SSi/c1-13(19)18-16-7-6-14(8-10-22(20,21)17-2)12-15(16)9-11-23(3,4)5/h6-7,12,17H,8,10H2,1-5H3,(H,18,19)
InChIKeyBKVCGEHVHPYKHP-UHFFFAOYSA-N
MW352.53 g/mol
LogP1.97
Rot. Bonds5

About N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide

N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide (PubChem CID 66973773) has the molecular formula C16H24N2O3SSi and a molecular weight of 352.53 g/mol. Its IUPAC name is N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide
PubChem CID66973773
Molecular FormulaC16H24N2O3SSi
Molecular Weight352.53 g/mol
Exact Mass352.13
IUPAC NameN-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide
SMILESCNS(=O)(=O)CCc1ccc(NC(C)=O)c(C#C[Si](C)(C)C)c1
InChIInChI=1S/C16H24N2O3SSi/c1-13(19)18-16-7-6-14(8-10-22(20,21)17-2)12-15(16)9-11-23(3,4)5/h6-7,12,17H,8,10H2,1-5H3,(H,18,19)
InChIKeyBKVCGEHVHPYKHP-UHFFFAOYSA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(benzylamino)-3-ethynylphenyl]-N-methylethanesulfonamide;2-[4-(benzylamino)-3-(2-trimethylsilylethynyl)phenyl]-N-methylethanesulfonamide
CID 158352727
N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 141342772
[4-acetamido-3-(2-trimethylsilylethynyl)phenyl] trifluoromethanesulfonate
CID 135051784
ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 58475259
methyl 2-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-4-(2-trimethylsilylethynyl)benzoate
CID 101224817
N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 152544721
[2-(2-trimethylsilylethynyl)phenyl]urea
CID 11299239
N-[2-(1-methylpiperidine-4-carbonyl)-4-[2-(methylsulfamoyl)ethyl]phenyl]formamide
CID 10737714
S-[[4-(2-trimethylsilylethynyl)phenyl]methyl] ethanethioate
CID 10659177
N-[5-chloro-4-(2-hydroxyacetyl)-2-(2-trimethylsilylethynyl)phenyl]acetamide;1-(6-chloro-1H-indol-5-yl)-2-hydroxyethanone
CID 160708554
N-[2-[2-[6-[2-(2-acetamido-5-tert-butylphenyl)ethynyl]-2-pyridinyl]ethynyl]-4-tert-butylphenyl]acetamide
CID 173478253
N-[4-ethyl-2-(3-hydroxybut-1-ynyl)phenyl]-2,2,2-trifluoroacetamide
CID 154608853

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide?
The IUPAC name of N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide (CID 66973773) is N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide?
The canonical SMILES for N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide is CNS(=O)(=O)CCc1ccc(NC(C)=O)c(C#C[Si](C)(C)C)c1.
What is the InChIKey of N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide?
The InChIKey is BKVCGEHVHPYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3SSi/c1-13(19)18-16-7-6-14(8-10-22(20,21)17-2)12-15(16)9-11-23(3,4)5/h6-7,12,17H,8,10H2,1-5H3,(H,18,19).
What are the key properties of N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide?
N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide has a molecular weight of 352.53 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide is sourced from PubChem (CID 66973773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).