N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

C16H19N3O3S — CID 113151439

IUPACN-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(12-15-9-5-6-10-17-15)13-16(20)18-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,20)
InChIKeyWFQJNFQZRZUQBH-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.16
Rot. Bonds7

About N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 113151439) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
PubChem CID113151439
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(12-15-9-5-6-10-17-15)13-16(20)18-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,20)
InChIKeyWFQJNFQZRZUQBH-UHFFFAOYSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
CID 113151480
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150116
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
2-[benzyl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100751066
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113151528

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (CID 113151439) is N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccccn1.
What is the InChIKey of N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is WFQJNFQZRZUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(21,22)19(12-15-9-5-6-10-17-15)13-16(20)18-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).