N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide

C21H28N2O3S — CID 16931894

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccsc1)N1CCCCCC1
InChIInChI=1S/C21H28N2O3S/c1-25-19-8-4-5-9-20(19)26-15-21(24)22-14-18(17-10-13-27-16-17)23-11-6-2-3-7-12-23/h4-5,8-10,13,16,18H,2-3,6-7,11-12,14-15H2,1H3,(H,22,24)
InChIKeyKSZBIWXMMWWKML-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.87
Rot. Bonds8

About N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 16931894) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID16931894
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccsc1)N1CCCCCC1
InChIInChI=1S/C21H28N2O3S/c1-25-19-8-4-5-9-20(19)26-15-21(24)22-14-18(17-10-13-27-16-17)23-11-6-2-3-7-12-23/h4-5,8-10,13,16,18H,2-3,6-7,11-12,14-15H2,1H3,(H,22,24)
InChIKeyKSZBIWXMMWWKML-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)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-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide (CID 16931894) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC(c1ccsc1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is KSZBIWXMMWWKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-25-19-8-4-5-9-20(19)26-15-21(24)22-14-18(17-10-13-27-16-17)23-11-6-2-3-7-12-23/h4-5,8-10,13,16,18H,2-3,6-7,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 16931894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).