2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide

C16H19N3O3S — CID 25343534

IUPAC2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccn2)cc1C
InChIInChI=1S/C16H19N3O3S/c1-12-7-8-14(10-13(12)2)23(21,22)19(3)11-16(20)18-15-6-4-5-9-17-15/h4-10H,11H2,1-3H3,(H,17,18,20)
InChIKeyAUYBUUOOBQGPAH-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.96
Rot. Bonds5

About 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide (PubChem CID 25343534) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
PubChem CID25343534
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccn2)cc1C
InChIInChI=1S/C16H19N3O3S/c1-12-7-8-14(10-13(12)2)23(21,22)19(3)11-16(20)18-15-6-4-5-9-17-15/h4-10H,11H2,1-3H3,(H,17,18,20)
InChIKeyAUYBUUOOBQGPAH-UHFFFAOYSA-N
XLogP1.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38040224
N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 55549796
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-(5-chloro-2-pyridinyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27161179
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55956292
methyl 4-chloro-3-[[2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38039964
N-(3-chloro-4-cyanophenyl)-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38014178
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide
CID 9401971
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide (CID 25343534) is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccn2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
The InChIKey is AUYBUUOOBQGPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-7-8-14(10-13(12)2)23(21,22)19(3)11-16(20)18-15-6-4-5-9-17-15/h4-10H,11H2,1-3H3,(H,17,18,20).
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide has a molecular weight of 333.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 25343534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).