N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide

C18H19N4O3S2+ — CID 172711460

IUPACN-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCc1c[s+](S(N)(=O)=O)c(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)n1
InChIInChI=1S/C18H19N4O3S2/c1-13-12-26(27(19,24)25)18(21-13)22(2)17(23)11-14-6-8-15(9-7-14)16-5-3-4-10-20-16/h3-10,12H,11H2,1-2H3,(H2,19,24,25)/q+1
InChIKeyFHOJXLQLNPNLRT-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide

N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 172711460) has the molecular formula C18H19N4O3S2+ and a molecular weight of 403.51 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
PubChem CID172711460
Molecular FormulaC18H19N4O3S2+
Molecular Weight403.51 g/mol
Exact Mass403.09
IUPAC NameN-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCc1c[s+](S(N)(=O)=O)c(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)n1
InChIInChI=1S/C18H19N4O3S2/c1-13-12-26(27(19,24)25)18(21-13)22(2)17(23)11-14-6-8-15(9-7-14)16-5-3-4-10-20-16/h3-10,12H,11H2,1-2H3,(H2,19,24,25)/q+1
InChIKeyFHOJXLQLNPNLRT-UHFFFAOYSA-N
XLogP2.46
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide (CID 172711460) is N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide is Cc1c[s+](S(N)(=O)=O)c(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)n1.
What is the InChIKey of N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is FHOJXLQLNPNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N4O3S2/c1-13-12-26(27(19,24)25)18(21-13)22(2)17(23)11-14-6-8-15(9-7-14)16-5-3-4-10-20-16/h3-10,12H,11H2,1-2H3,(H2,19,24,25)/q+1.
What are the key properties of N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
N-methyl-N-(4-methyl-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 2.46, 5 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-1-sulfamoyl-1,3-thiazol-1-ium-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 172711460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).