4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide

C18H22N4O3S — CID 4848136

IUPAC4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-22(11-16(23)20-10-15-4-3-9-26-15)12-17(24)21-14-7-5-13(6-8-14)18(19)25/h3-9H,2,10-12H2,1H3,(H2,19,25)(H,20,23)(H,21,24)
InChIKeyXWMIDNOVEYMXFW-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.42
Rot. Bonds9

About 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide

4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide (PubChem CID 4848136) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
PubChem CID4848136
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-22(11-16(23)20-10-15-4-3-9-26-15)12-17(24)21-14-7-5-13(6-8-14)18(19)25/h3-9H,2,10-12H2,1H3,(H2,19,25)(H,20,23)(H,21,24)
InChIKeyXWMIDNOVEYMXFW-UHFFFAOYSA-N
XLogP1.42
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide 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 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide (CID 4848136) is 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide is CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is XWMIDNOVEYMXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-2-22(11-16(23)20-10-15-4-3-9-26-15)12-17(24)21-14-7-5-13(6-8-14)18(19)25/h3-9H,2,10-12H2,1H3,(H2,19,25)(H,20,23)(H,21,24).
What are the key properties of 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide?
4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 4848136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).