N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide

C16H18N2O3S — CID 86992799

IUPACN-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide
SMILESCC(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C16H18N2O3S/c1-13(22(20,21)15-9-5-6-11-17-15)16(19)18-12-10-14-7-3-2-4-8-14/h2-9,11,13H,10,12H2,1H3,(H,18,19)
InChIKeyBBAPRDFZYLYBFF-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.60
Rot. Bonds6

About N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide

N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide (PubChem CID 86992799) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide
PubChem CID86992799
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide
SMILESCC(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C16H18N2O3S/c1-13(22(20,21)15-9-5-6-11-17-15)16(19)18-12-10-14-7-3-2-4-8-14/h2-9,11,13H,10,12H2,1H3,(H,18,19)
InChIKeyBBAPRDFZYLYBFF-UHFFFAOYSA-N
XLogP1.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027199
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 86992899
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027204
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide
CID 75177987
1-(4-phenylbutyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36520752
2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
CID 10990375
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide (CID 86992799) is N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide is CC(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide?
The InChIKey is BBAPRDFZYLYBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-13(22(20,21)15-9-5-6-11-17-15)16(19)18-12-10-14-7-3-2-4-8-14/h2-9,11,13H,10,12H2,1H3,(H,18,19).
What are the key properties of N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide?
N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide is sourced from PubChem (CID 86992799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).