2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C17H21N3O3S — CID 113150524

IUPAC2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1CN(CC(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-14-7-3-4-8-15(14)12-20(24(2,22)23)13-17(21)19-11-16-9-5-6-10-18-16/h3-10H,11-13H2,1-2H3,(H,19,21)
InChIKeyPDHLSTIGLRMODU-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.47
Rot. Bonds7

About 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113150524) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113150524
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1CN(CC(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-14-7-3-4-8-15(14)12-20(24(2,22)23)13-17(21)19-11-16-9-5-6-10-18-16/h3-10H,11-13H2,1-2H3,(H,19,21)
InChIKeyPDHLSTIGLRMODU-UHFFFAOYSA-N
XLogP1.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150116
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
CID 113151480
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 21373434
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 113150524) is 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccccc1CN(CC(=O)NCc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PDHLSTIGLRMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-14-7-3-4-8-15(14)12-20(24(2,22)23)13-17(21)19-11-16-9-5-6-10-18-16/h3-10H,11-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113150524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).