2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide

C16H16N4O3S2 — CID 3245497

IUPAC2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H16N4O3S2/c1-11-6-8-12(9-7-11)17-15(21)10-20(2)25(22,23)14-5-3-4-13-16(14)19-24-18-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyIISCANMWTYHKLT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.26
Rot. Bonds5

About 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 3245497) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID3245497
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H16N4O3S2/c1-11-6-8-12(9-7-11)17-15(21)10-20(2)25(22,23)14-5-3-4-13-16(14)19-24-18-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyIISCANMWTYHKLT-UHFFFAOYSA-N
XLogP2.26
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 20856847
methyl 2-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]acetyl]amino]benzoate
CID 20856855
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 3239649
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633675
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856851
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 22583020
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856982
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
CID 3235802
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361

Frequently Asked Questions

What is the IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide (CID 3245497) is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1.
What is the InChIKey of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is IISCANMWTYHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-11-6-8-12(9-7-11)17-15(21)10-20(2)25(22,23)14-5-3-4-13-16(14)19-24-18-13/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide?
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3245497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).