ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate

C25H33N3O5S — CID 11329260

IUPACethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C25H33N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)24(29)26-18-8-4-3-5-9-18/h6-7,10-13,18-19,27H,2-5,8-9,14-17H2,1H3,(H,26,29)
InChIKeyWNAQDGAJYADFFI-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.80
Rot. Bonds6

About ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate

ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 11329260) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
PubChem CID11329260
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Nameethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C25H33N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)24(29)26-18-8-4-3-5-9-18/h6-7,10-13,18-19,27H,2-5,8-9,14-17H2,1H3,(H,26,29)
InChIKeyWNAQDGAJYADFFI-UHFFFAOYSA-N
XLogP3.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate (CID 11329260) is ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is WNAQDGAJYADFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)24(29)26-18-8-4-3-5-9-18/h6-7,10-13,18-19,27H,2-5,8-9,14-17H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 487.62 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(cyclohexylcarbamoyl)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 11329260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).