N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide

C26H36N4O4S2Si — CID 21051328

IUPACN-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H36N4O4S2Si/c1-19-24(36(32,33)28-16-17-34-37(6,7)26(2,3)4)35-25(29-19)30(5)23(31)18-20-11-13-21(14-12-20)22-10-8-9-15-27-22/h8-15,28H,16-18H2,1-7H3
InChIKeyQCXFBTRKWJYQAW-UHFFFAOYSA-N
MW560.82 g/mol
LogP5.02
Rot. Bonds10

About N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide

N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 21051328) has the molecular formula C26H36N4O4S2Si and a molecular weight of 560.82 g/mol. Its IUPAC name is N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
PubChem CID21051328
Molecular FormulaC26H36N4O4S2Si
Molecular Weight560.82 g/mol
Exact Mass560.19
IUPAC NameN-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H36N4O4S2Si/c1-19-24(36(32,33)28-16-17-34-37(6,7)26(2,3)4)35-25(29-19)30(5)23(31)18-20-11-13-21(14-12-20)22-10-8-9-15-27-22/h8-15,28H,16-18H2,1-7H3
InChIKeyQCXFBTRKWJYQAW-UHFFFAOYSA-N
XLogP5.02
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.82
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide (CID 21051328) is N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is QCXFBTRKWJYQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S2Si/c1-19-24(36(32,33)28-16-17-34-37(6,7)26(2,3)4)35-25(29-19)30(5)23(31)18-20-11-13-21(14-12-20)22-10-8-9-15-27-22/h8-15,28H,16-18H2,1-7H3.
What are the key properties of N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 560.82 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 21051328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).