N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C27H39N3O2S — CID 134298205

IUPACN-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)C2CNC3(CCCCCCCCC3)CN2)cc1
InChIInChI=1S/C27H39N3O2S/c1-22-11-13-23(14-12-22)32-20-26(31)30(19-24-10-9-17-33-24)25-18-29-27(21-28-25)15-7-5-3-2-4-6-8-16-27/h9-14,17,25,28-29H,2-8,15-16,18-21H2,1H3
InChIKeyXQIAHZSOIPMYTF-UHFFFAOYSA-N
MW469.70 g/mol
LogP5.25
Rot. Bonds6

About N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 134298205) has the molecular formula C27H39N3O2S and a molecular weight of 469.70 g/mol. Its IUPAC name is N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID134298205
Molecular FormulaC27H39N3O2S
Molecular Weight469.70 g/mol
Exact Mass469.28
IUPAC NameN-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)C2CNC3(CCCCCCCCC3)CN2)cc1
InChIInChI=1S/C27H39N3O2S/c1-22-11-13-23(14-12-22)32-20-26(31)30(19-24-10-9-17-33-24)25-18-29-27(21-28-25)15-7-5-3-2-4-6-8-16-27/h9-14,17,25,28-29H,2-8,15-16,18-21H2,1H3
InChIKeyXQIAHZSOIPMYTF-UHFFFAOYSA-N
XLogP5.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.70
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide 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 N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 134298205) is N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)C2CNC3(CCCCCCCCC3)CN2)cc1.
What is the InChIKey of N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XQIAHZSOIPMYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2S/c1-22-11-13-23(14-12-22)32-20-26(31)30(19-24-10-9-17-33-24)25-18-29-27(21-28-25)15-7-5-3-2-4-6-8-16-27/h9-14,17,25,28-29H,2-8,15-16,18-21H2,1H3.
What are the key properties of N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 469.70 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 134298205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).