2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide

C20H24N2OS — CID 7922450

IUPAC2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H24N2OS/c23-20(16-24-15-17-7-3-1-4-8-17)21-18-9-11-19(12-10-18)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23)
InChIKeyIJADHARKFHEFGC-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.55
Rot. Bonds6

About 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide

2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 7922450) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID7922450
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H24N2OS/c23-20(16-24-15-17-7-3-1-4-8-17)21-18-9-11-19(12-10-18)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23)
InChIKeyIJADHARKFHEFGC-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 18270309
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-[(4-nitrophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508821
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508961
2-benzylsulfanyl-N-phenylacetamide
CID 584914
(2S)-2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 95288755
2-[(4-methylphenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7922333
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide (CID 7922450) is 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CSCc1ccccc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is IJADHARKFHEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-20(16-24-15-17-7-3-1-4-8-17)21-18-9-11-19(12-10-18)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23).
What are the key properties of 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 340.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 7922450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).