2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide

C25H26ClN3O2S — CID 32827422

IUPAC2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)CSc2cccc3cccc(Cl)c23)CC1)Nc1ccccc1
InChIInChI=1S/C25H26ClN3O2S/c26-21-10-4-6-18-7-5-11-22(25(18)21)32-17-24(31)28-20-12-14-29(15-13-20)16-23(30)27-19-8-2-1-3-9-19/h1-11,20H,12-17H2,(H,27,30)(H,28,31)
InChIKeyXALMCTDMTLVAHU-UHFFFAOYSA-N
MW468.02 g/mol
LogP4.80
Rot. Bonds7

About 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 32827422) has the molecular formula C25H26ClN3O2S and a molecular weight of 468.02 g/mol. Its IUPAC name is 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID32827422
Molecular FormulaC25H26ClN3O2S
Molecular Weight468.02 g/mol
Exact Mass467.14
IUPAC Name2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)CSc2cccc3cccc(Cl)c23)CC1)Nc1ccccc1
InChIInChI=1S/C25H26ClN3O2S/c26-21-10-4-6-18-7-5-11-22(25(18)21)32-17-24(31)28-20-12-14-29(15-13-20)16-23(30)27-19-8-2-1-3-9-19/h1-11,20H,12-17H2,(H,27,30)(H,28,31)
InChIKeyXALMCTDMTLVAHU-UHFFFAOYSA-N
XLogP4.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.02
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide 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-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide
CID 33308748
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 3508705
2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide
CID 3423376
N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443244
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide (CID 32827422) is 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(NC(=O)CSc2cccc3cccc(Cl)c23)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is XALMCTDMTLVAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2S/c26-21-10-4-6-18-7-5-11-22(25(18)21)32-17-24(31)28-20-12-14-29(15-13-20)16-23(30)27-19-8-2-1-3-9-19/h1-11,20H,12-17H2,(H,27,30)(H,28,31).
What are the key properties of 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 468.02 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 32827422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).