2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide

C15H16N2O3S — CID 59892161

IUPAC2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H16N2O3S/c1-12(10-13-6-3-2-4-7-13)15(18)17-21(19,20)14-8-5-9-16-11-14/h2-9,11-12H,10H2,1H3,(H,17,18)
InChIKeyMLMCIELXLPAGBN-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.77
Rot. Bonds5

About 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide

2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide (PubChem CID 59892161) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
PubChem CID59892161
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H16N2O3S/c1-12(10-13-6-3-2-4-7-13)15(18)17-21(19,20)14-8-5-9-16-11-14/h2-9,11-12H,10H2,1H3,(H,17,18)
InChIKeyMLMCIELXLPAGBN-UHFFFAOYSA-N
XLogP1.77
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenylmethoxy-N-pyridin-3-ylsulfonylpropanamide
CID 94189477
(2R)-2-methoxy-2-phenyl-N-pyridin-3-ylsulfonylacetamide
CID 95301779
(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 99646668
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
CID 91644611
(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
CID 149392141
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
CID 97065422
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide
CID 94189479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide?
The IUPAC name of 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide (CID 59892161) is 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide?
The canonical SMILES for 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide is CC(Cc1ccccc1)C(=O)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide?
The InChIKey is MLMCIELXLPAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12(10-13-6-3-2-4-7-13)15(18)17-21(19,20)14-8-5-9-16-11-14/h2-9,11-12H,10H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide?
2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide has a molecular weight of 304.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide is sourced from PubChem (CID 59892161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).