3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C22H27N3O4S — CID 3963752

IUPAC3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O4S/c1-17(26)23-21(18-8-4-2-5-9-18)16-22(27)24-19-10-12-20(13-11-19)30(28,29)25-14-6-3-7-15-25/h2,4-5,8-13,21H,3,6-7,14-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyJNNYMCIFSQLKTF-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.07
Rot. Bonds7

About 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 3963752) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID3963752
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O4S/c1-17(26)23-21(18-8-4-2-5-9-18)16-22(27)24-19-10-12-20(13-11-19)30(28,29)25-14-6-3-7-15-25/h2,4-5,8-13,21H,3,6-7,14-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyJNNYMCIFSQLKTF-UHFFFAOYSA-N
XLogP3.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

USP30 inhibitor 18
CID 142474792
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 3963752) is 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is JNNYMCIFSQLKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-17(26)23-21(18-8-4-2-5-9-18)16-22(27)24-19-10-12-20(13-11-19)30(28,29)25-14-6-3-7-15-25/h2,4-5,8-13,21H,3,6-7,14-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 429.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 3963752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).