N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

C24H33N3O2S — CID 9296343

IUPACN-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C24H33N3O2S/c28-24(19-26(17-22-7-5-15-29-22)18-23-8-6-16-30-23)25-20-9-11-21(12-10-20)27-13-3-1-2-4-14-27/h6,8-12,16,22H,1-5,7,13-15,17-19H2,(H,25,28)/t22-/m0/s1
InChIKeyHDSOTLYQLNCOAO-QFIPXVFZSA-N
MW427.61 g/mol
LogP4.75
Rot. Bonds8

About N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 9296343) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID9296343
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C24H33N3O2S/c28-24(19-26(17-22-7-5-15-29-22)18-23-8-6-16-30-23)25-20-9-11-21(12-10-20)27-13-3-1-2-4-14-27/h6,8-12,16,22H,1-5,7,13-15,17-19H2,(H,25,28)/t22-/m0/s1
InChIKeyHDSOTLYQLNCOAO-QFIPXVFZSA-N
XLogP4.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]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-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9296357
N-(4-morpholin-4-ylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40790537
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-sulfamoylphenyl)acetamide
CID 43031234
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 78808517
2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9055447
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 41134910
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-ynylacetamide
CID 8926089
N-(2,3-dichlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055181
N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18197685
N-(3-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055119
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 9296343) is N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is HDSOTLYQLNCOAO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H33N3O2S/c28-24(19-26(17-22-7-5-15-29-22)18-23-8-6-16-30-23)25-20-9-11-21(12-10-20)27-13-3-1-2-4-14-27/h6,8-12,16,22H,1-5,7,13-15,17-19H2,(H,25,28)/t22-/m0/s1.
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 427.61 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9296343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).