2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide

C15H16N2O3S — CID 17309406

IUPAC2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-5-7-14(8-6-12)21(19,20)11-15(18)17-10-13-4-2-3-9-16-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyKFVQADMHWLMMHO-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.48
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide

2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 17309406) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID17309406
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-5-7-14(8-6-12)21(19,20)11-15(18)17-10-13-4-2-3-9-16-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyKFVQADMHWLMMHO-UHFFFAOYSA-N
XLogP1.48
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 26562145
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 22300039
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 3249148
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide (CID 17309406) is 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KFVQADMHWLMMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-5-7-14(8-6-12)21(19,20)11-15(18)17-10-13-4-2-3-9-16-13/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 17309406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).