3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide

C17H20N2O3S — CID 86930314

IUPAC3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-4-6-16(7-5-14)23(21,22)12-9-17(20)19-11-8-15-3-2-10-18-13-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,20)
InChIKeyUXPQGSDVEYRIQI-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.91
Rot. Bonds7

About 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide

3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 86930314) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
PubChem CID86930314
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-4-6-16(7-5-14)23(21,22)12-9-17(20)19-11-8-15-3-2-10-18-13-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,20)
InChIKeyUXPQGSDVEYRIQI-UHFFFAOYSA-N
XLogP1.91
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
CID 110410639
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 8749612
N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55726790
3-[2-(4-methylphenyl)sulfonylethyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133770
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide (CID 86930314) is 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCCc2cccnc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide?
The InChIKey is UXPQGSDVEYRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-4-6-16(7-5-14)23(21,22)12-9-17(20)19-11-8-15-3-2-10-18-13-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 332.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 86930314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).