methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide

C19H22N4O6S3 — CID 11950374

IUPACmethanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCS(=O)(=O)O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H18N4O3S2.CH4O3S/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15;1-5(2,3)4/h3-10H,11H2,1-2H3,(H2,19,24,25);1H3,(H,2,3,4)
InChIKeyPPAJHCGEURRDOG-UHFFFAOYSA-N
MW498.61 g/mol
LogP1.87
Rot. Bonds5

About methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide

methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 11950374) has the molecular formula C19H22N4O6S3 and a molecular weight of 498.61 g/mol. Its IUPAC name is methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound Namemethanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
PubChem CID11950374
Molecular FormulaC19H22N4O6S3
Molecular Weight498.61 g/mol
Exact Mass498.07
IUPAC Namemethanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCS(=O)(=O)O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H18N4O3S2.CH4O3S/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15;1-5(2,3)4/h3-10H,11H2,1-2H3,(H2,19,24,25);1H3,(H,2,3,4)
InChIKeyPPAJHCGEURRDOG-UHFFFAOYSA-N
XLogP1.87
TPSA160.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide (CID 11950374) is methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide is CS(=O)(=O)O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is PPAJHCGEURRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2.CH4O3S/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15;1-5(2,3)4/h3-10H,11H2,1-2H3,(H2,19,24,25);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide?
methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 498.61 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 11950374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).