3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide

C16H19N3O3S — CID 113139932

IUPAC3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)Cc1cccnc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(13-14-6-5-10-17-12-14)11-9-16(20)18-15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3,(H,18,20)
InChIKeyJXWHPQDKYMNZLV-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.87
Rot. Bonds7

About 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide

3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide (PubChem CID 113139932) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
PubChem CID113139932
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)Cc1cccnc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(13-14-6-5-10-17-12-14)11-9-16(20)18-15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3,(H,18,20)
InChIKeyJXWHPQDKYMNZLV-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113139998
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide (CID 113139932) is 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide is CS(=O)(=O)N(CCC(=O)Nc1ccccc1)Cc1cccnc1.
What is the InChIKey of 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide?
The InChIKey is JXWHPQDKYMNZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(21,22)19(13-14-6-5-10-17-12-14)11-9-16(20)18-15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3,(H,18,20).
What are the key properties of 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide?
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide has a molecular weight of 333.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 113139932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).