2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide

C17H20N2O3S — CID 110771435

IUPAC2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)23(21,22)16-5-3-14(4-6-16)11-17(20)19-12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyQYPMTDCTFDISAI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.12
Rot. Bonds6

About 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide

2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110771435) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110771435
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)23(21,22)16-5-3-14(4-6-16)11-17(20)19-12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyQYPMTDCTFDISAI-UHFFFAOYSA-N
XLogP2.12
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
N-[(4-oxo-3-prop-2-ynylphthalazin-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121049017
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90583565
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-[(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 119102504

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide (CID 110771435) is 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is QYPMTDCTFDISAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)23(21,22)16-5-3-14(4-6-16)11-17(20)19-12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110771435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).