2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C15H14N6O5S2 — CID 19530453

IUPAC2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1
InChIInChI=1S/C15H14N6O5S2/c1-10-8-14(21(23)24)20(18-10)9-13(22)17-11-2-4-12(5-3-11)28(25,26)19-15-16-6-7-27-15/h2-8H,9H2,1H3,(H,16,19)(H,17,22)
InChIKeyMGEQFPKJVQVRIO-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.00
Rot. Bonds7

About 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 19530453) has the molecular formula C15H14N6O5S2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID19530453
Molecular FormulaC15H14N6O5S2
Molecular Weight422.45 g/mol
Exact Mass422.05
IUPAC Name2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1
InChIInChI=1S/C15H14N6O5S2/c1-10-8-14(21(23)24)20(18-10)9-13(22)17-11-2-4-12(5-3-11)28(25,26)19-15-16-6-7-27-15/h2-8H,9H2,1H3,(H,16,19)(H,17,22)
InChIKeyMGEQFPKJVQVRIO-UHFFFAOYSA-N
XLogP2.00
TPSA149.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121064432
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052762
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121051792
2-(5-chloro-2-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544020
1-ethyl-4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19476326
3-(4-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19555438
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052518
N-(4-methyl-3,5-dinitrophenyl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530615
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1090728

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 19530453) is 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is Cc1cc([N+](=O)[O-])n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1.
What is the InChIKey of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is MGEQFPKJVQVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O5S2/c1-10-8-14(21(23)24)20(18-10)9-13(22)17-11-2-4-12(5-3-11)28(25,26)19-15-16-6-7-27-15/h2-8H,9H2,1H3,(H,16,19)(H,17,22).
What are the key properties of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 422.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 19530453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).