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

C20H21N3O3S2 — CID 3003616

IUPACN-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESCNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C20H21N3O3S2/c1-14-19(28(25,26)21-2)27-20(22-14)23(3)18(24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3
InChIKeyHWKUDWWCPNCBAK-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.23
Rot. Bonds6

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

N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 3003616) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
PubChem CID3003616
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESCNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C20H21N3O3S2/c1-14-19(28(25,26)21-2)27-20(22-14)23(3)18(24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3
InChIKeyHWKUDWWCPNCBAK-UHFFFAOYSA-N
XLogP3.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide (CID 3003616) is N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide is CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)nc1C.
What is the InChIKey of N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is HWKUDWWCPNCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14-19(28(25,26)21-2)27-20(22-14)23(3)18(24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3.
What are the key properties of N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide?
N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 3003616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).