N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide

C25H28N4O4S2 — CID 15523882

IUPACN-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCNS(=O)(=O)c1sc(N(CCN2CCCC2=O)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C25H28N4O4S2/c1-18-24(35(32,33)26-2)34-25(27-18)29(16-15-28-14-6-9-22(28)30)23(31)17-19-10-12-21(13-11-19)20-7-4-3-5-8-20/h3-5,7-8,10-13,26H,6,9,14-17H2,1-2H3
InChIKeyPUANZKBDLRNNBJ-UHFFFAOYSA-N
MW512.66 g/mol
LogP3.22
Rot. Bonds9

About N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide

N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 15523882) has the molecular formula C25H28N4O4S2 and a molecular weight of 512.66 g/mol. Its IUPAC name is N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID15523882
Molecular FormulaC25H28N4O4S2
Molecular Weight512.66 g/mol
Exact Mass512.16
IUPAC NameN-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCNS(=O)(=O)c1sc(N(CCN2CCCC2=O)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C25H28N4O4S2/c1-18-24(35(32,33)26-2)34-25(27-18)29(16-15-28-14-6-9-22(28)30)23(31)17-19-10-12-21(13-11-19)20-7-4-3-5-8-20/h3-5,7-8,10-13,26H,6,9,14-17H2,1-2H3
InChIKeyPUANZKBDLRNNBJ-UHFFFAOYSA-N
XLogP3.22
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.66
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 15523882) is N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide is CNS(=O)(=O)c1sc(N(CCN2CCCC2=O)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C.
What is the InChIKey of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is PUANZKBDLRNNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S2/c1-18-24(35(32,33)26-2)34-25(27-18)29(16-15-28-14-6-9-22(28)30)23(31)17-19-10-12-21(13-11-19)20-7-4-3-5-8-20/h3-5,7-8,10-13,26H,6,9,14-17H2,1-2H3.
What are the key properties of N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 512.66 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 15523882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).