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

C17H18N4O3S — CID 113140134

IUPACN-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccncc1
InChIInChI=1S/C17H18N4O3S/c1-25(23,24)21(13-15-6-9-19-10-7-15)11-8-17(22)20-16-4-2-14(12-18)3-5-16/h2-7,9-10H,8,11,13H2,1H3,(H,20,22)
InChIKeyMLSAUZYVJRBZDC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.74
Rot. Bonds7

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

N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (PubChem CID 113140134) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
PubChem CID113140134
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccncc1
InChIInChI=1S/C17H18N4O3S/c1-25(23,24)21(13-15-6-9-19-10-7-15)11-8-17(22)20-16-4-2-14(12-18)3-5-16/h2-7,9-10H,8,11,13H2,1H3,(H,20,22)
InChIKeyMLSAUZYVJRBZDC-UHFFFAOYSA-N
XLogP1.74
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
2-[4-[[(4-cyanophenyl)methyl-methylsulfonylamino]methyl]anilino]-2-oxoacetic acid
CID 143170420
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (CID 113140134) is N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccncc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The InChIKey is MLSAUZYVJRBZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-25(23,24)21(13-15-6-9-19-10-7-15)11-8-17(22)20-16-4-2-14(12-18)3-5-16/h2-7,9-10H,8,11,13H2,1H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide has a molecular weight of 358.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 113140134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).