2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C28H31N3O3S — CID 4832872

IUPAC2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)C=Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C28H31N3O3S/c32-28(29-26-14-16-27(17-15-26)30-19-8-3-9-20-30)23-31(22-25-12-6-2-7-13-25)35(33,34)21-18-24-10-4-1-5-11-24/h1-2,4-7,10-18,21H,3,8-9,19-20,22-23H2,(H,29,32)
InChIKeyUMFHCPWDFFVBJS-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.12
Rot. Bonds9

About 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 4832872) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID4832872
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC Name2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)C=Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C28H31N3O3S/c32-28(29-26-14-16-27(17-15-26)30-19-8-3-9-20-30)23-31(22-25-12-6-2-7-13-25)35(33,34)21-18-24-10-4-1-5-11-24/h1-2,4-7,10-18,21H,3,8-9,19-20,22-23H2,(H,29,32)
InChIKeyUMFHCPWDFFVBJS-UHFFFAOYSA-N
XLogP5.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)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

2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25467498
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516824
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3910541
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4969009
2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4596496
2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide
CID 3594949
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 4832872) is 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)C=Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is UMFHCPWDFFVBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c32-28(29-26-14-16-27(17-15-26)30-19-8-3-9-20-30)23-31(22-25-12-6-2-7-13-25)35(33,34)21-18-24-10-4-1-5-11-24/h1-2,4-7,10-18,21H,3,8-9,19-20,22-23H2,(H,29,32).
What are the key properties of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 489.64 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4832872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).