N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide

C23H31N3O3S2 — CID 53031675

IUPACN-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O3S2/c27-22(24-21-10-12-25(13-11-21)18-20-5-2-1-3-6-20)17-19-8-14-26(15-9-19)31(28,29)23-7-4-16-30-23/h1-7,16,19,21H,8-15,17-18H2,(H,24,27)
InChIKeyYIFCTGSYYFVKCC-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.32
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide (PubChem CID 53031675) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
PubChem CID53031675
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O3S2/c27-22(24-21-10-12-25(13-11-21)18-20-5-2-1-3-6-20)17-19-8-14-26(15-9-19)31(28,29)23-7-4-16-30-23/h1-7,16,19,21H,8-15,17-18H2,(H,24,27)
InChIKeyYIFCTGSYYFVKCC-UHFFFAOYSA-N
XLogP3.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)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

N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108561076
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 36527366
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide (CID 53031675) is N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide is O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is YIFCTGSYYFVKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c27-22(24-21-10-12-25(13-11-21)18-20-5-2-1-3-6-20)17-19-8-14-26(15-9-19)31(28,29)23-7-4-16-30-23/h1-7,16,19,21H,8-15,17-18H2,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 461.65 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 53031675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).