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

C21H25N3O4S — CID 55921108

IUPAC2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16(25)22-18-11-9-17(10-12-18)15-21(26)23-19-7-3-4-8-20(19)29(27,28)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVTWLJZNFXUMOW-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.00
Rot. Bonds6

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

2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55921108) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55921108
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16(25)22-18-11-9-17(10-12-18)15-21(26)23-19-7-3-4-8-20(19)29(27,28)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVTWLJZNFXUMOW-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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Related Compounds

2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662793
N-(2-aminophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119422117
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662712
2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide
CID 159327916
3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
CID 52662681
2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid
CID 108804791
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[(2-piperidin-1-ylsulfonylphenyl)carbamoylamino]propanoate
CID 69377585
(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 60549459

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide (CID 55921108) is 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is YVTWLJZNFXUMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(25)22-18-11-9-17(10-12-18)15-21(26)23-19-7-3-4-8-20(19)29(27,28)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-acetamidophenyl)-N-(2-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 2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55921108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).