N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide

C20H26N2O3S — CID 4029195

IUPACN-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCCOCCCNC(=O)C(NC(=O)Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-25-12-5-11-21-20(24)19(16-9-7-15(2)8-10-16)22-18(23)14-17-6-4-13-26-17/h4,6-10,13,19H,3,5,11-12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDMDARJFPYIYRFH-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.00
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide

N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 4029195) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID4029195
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCCOCCCNC(=O)C(NC(=O)Cc1cccs1)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-25-12-5-11-21-20(24)19(16-9-7-15(2)8-10-16)22-18(23)14-17-6-4-13-26-17/h4,6-10,13,19H,3,5,11-12,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDMDARJFPYIYRFH-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide (CID 4029195) is N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide is CCOCCCNC(=O)C(NC(=O)Cc1cccs1)c1ccc(C)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is DMDARJFPYIYRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-25-12-5-11-21-20(24)19(16-9-7-15(2)8-10-16)22-18(23)14-17-6-4-13-26-17/h4,6-10,13,19H,3,5,11-12,14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 4029195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).