6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

C27H38N4O3S — CID 24768523

IUPAC6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCS(=O)(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C27H38N4O3S/c1-35(33,34)29-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)28-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,29H,2-3,8-9,11,14,16-21H2,1H3,(H,28,32)
InChIKeyPUVLRPJSGDJKOF-UHFFFAOYSA-N
MW498.69 g/mol
LogP3.93
Rot. Bonds10

About 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 24768523) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID24768523
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC Name6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCS(=O)(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C27H38N4O3S/c1-35(33,34)29-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)28-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,29H,2-3,8-9,11,14,16-21H2,1H3,(H,28,32)
InChIKeyPUVLRPJSGDJKOF-UHFFFAOYSA-N
XLogP3.93
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 24768523) is 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CS(=O)(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is PUVLRPJSGDJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3S/c1-35(33,34)29-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)28-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,29H,2-3,8-9,11,14,16-21H2,1H3,(H,28,32).
What are the key properties of 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 498.69 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 24768523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).