2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide

C15H16N2O3S — CID 1094082

IUPAC2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-12-7-8-16-14(9-12)17-15(18)11-21(19,20)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyURDCXIQCGHFTMA-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.94
Rot. Bonds5

About 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide

2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 1094082) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID1094082
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-12-7-8-16-14(9-12)17-15(18)11-21(19,20)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyURDCXIQCGHFTMA-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
2-[(4-methyl-2-pyridinyl)sulfamoyl]acetic acid
CID 28774374
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 3158209
5-(benzylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 25163680
N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
CID 108518877
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide (CID 1094082) is 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is URDCXIQCGHFTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-7-8-16-14(9-12)17-15(18)11-21(19,20)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,16,17,18).
What are the key properties of 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide?
2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 1094082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).