3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide

C16H19N3O3S — CID 113140070

IUPAC3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)Cc1ccncc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(13-14-7-10-17-11-8-14)12-9-16(20)18-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,18,20)
InChIKeySXZBRQSXSOLWKL-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.87
Rot. Bonds7

About 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide

3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide (PubChem CID 113140070) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
PubChem CID113140070
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)Cc1ccncc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(13-14-7-10-17-11-8-14)12-9-16(20)18-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,18,20)
InChIKeySXZBRQSXSOLWKL-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

3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
3-[benzyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113138727
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide (CID 113140070) is 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide is CS(=O)(=O)N(CCC(=O)Nc1ccccc1)Cc1ccncc1.
What is the InChIKey of 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide?
The InChIKey is SXZBRQSXSOLWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(21,22)19(13-14-7-10-17-11-8-14)12-9-16(20)18-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,18,20).
What are the key properties of 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide?
3-[methylsulfonyl(pyridin-4-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-4-ylmethyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 113140070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).