N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C21H25N3O4S — CID 8701379

IUPACN-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16(25)22-18-7-9-19(10-8-18)23-21(26)15-17-5-11-20(12-6-17)29(27,28)24-13-3-2-4-14-24/h5-12H,2-4,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyHFKCJCVLYKFHIY-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.00
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8701379) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID8701379
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16(25)22-18-7-9-19(10-8-18)23-21(26)15-17-5-11-20(12-6-17)29(27,28)24-13-3-2-4-14-24/h5-12H,2-4,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyHFKCJCVLYKFHIY-UHFFFAOYSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 8701379) is N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HFKCJCVLYKFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(25)22-18-7-9-19(10-8-18)23-21(26)15-17-5-11-20(12-6-17)29(27,28)24-13-3-2-4-14-24/h5-12H,2-4,13-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8701379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).