3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

C17H21N3O3S — CID 113141907

IUPAC3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCc2ccncc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-14-3-5-16(6-4-14)20(24(2,22)23)12-9-17(21)19-13-15-7-10-18-11-8-15/h3-8,10-11H,9,12-13H2,1-2H3,(H,19,21)
InChIKeyFYOWWSOWTTYNRY-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.86
Rot. Bonds7

About 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113141907) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113141907
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCc2ccncc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-14-3-5-16(6-4-14)20(24(2,22)23)12-9-17(21)19-13-15-7-10-18-11-8-15/h3-8,10-11H,9,12-13H2,1-2H3,(H,19,21)
InChIKeyFYOWWSOWTTYNRY-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144201
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113145026
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113141907) is 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is Cc1ccc(N(CCC(=O)NCc2ccncc2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is FYOWWSOWTTYNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-14-3-5-16(6-4-14)20(24(2,22)23)12-9-17(21)19-13-15-7-10-18-11-8-15/h3-8,10-11H,9,12-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113141907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).