2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

C16H19N3O3S — CID 2915171

IUPAC2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccncc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-13(16(20)18-12-14-8-10-17-11-9-14)19(23(2,21)22)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,20)
InChIKeyLAPFHSIOLSRIRZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.55
Rot. Bonds6

About 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 2915171) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID2915171
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccncc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-13(16(20)18-12-14-8-10-17-11-9-14)19(23(2,21)22)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,20)
InChIKeyLAPFHSIOLSRIRZ-UHFFFAOYSA-N
XLogP1.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 1079324
2-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 53285778
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
(2R)-2-(N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015338
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 2979813
2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132666802
(2S)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 97267616
2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 53281365
N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 133202321
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92678303

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 2915171) is 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is CC(C(=O)NCc1ccncc1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is LAPFHSIOLSRIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13(16(20)18-12-14-8-10-17-11-9-14)19(23(2,21)22)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 333.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 2915171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).