2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide

C16H19N3O3S — CID 848420

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19(3)11-16(20)18-15-6-4-5-13(2)17-15/h4-10H,11H2,1-3H3,(H,17,18,20)
InChIKeyBQLMHMVDAMACFI-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.96
Rot. Bonds5

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 848420) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID848420
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19(3)11-16(20)18-15-6-4-5-13(2)17-15/h4-10H,11H2,1-3H3,(H,17,18,20)
InChIKeyBQLMHMVDAMACFI-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

L-374,087
CID 9911866
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2-[3-Amino-4-(cyclobutylmethyl-sulfamoyl)-6-methyl-2-oxo-2H-pyridin-1-yl]-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 9889871
N-(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44379905
7Wvz3C3pmq
CID 9956947
N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
CID 778279
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CID 1356345
N-(6-Methyl-pyridin-2-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 3163423
1-(4-Methylphenyl)sulfonyl-3-(5-methylpyridin-2-yl)urea
CID 4062849
N-phenyl-2-[(phenylsulfonyl)(2-pyridinyl)amino]acetamide
CID 1475365
3-[methyl(phenyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 2334656
2-(3-Amino-4-cyclopropylsulfamoyl-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 9802229

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide (CID 848420) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is BQLMHMVDAMACFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19(3)11-16(20)18-15-6-4-5-13(2)17-15/h4-10H,11H2,1-3H3,(H,17,18,20).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide 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-[methyl-(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 848420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).