N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide

C15H19N3O2S2 — CID 18589145

IUPACN'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCc1cccs1)c1cccs1
InChIInChI=1S/C15H19N3O2S2/c1-18(2)12(13-6-4-8-22-13)10-17-15(20)14(19)16-9-11-5-3-7-21-11/h3-8,12H,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZEZRQIHCQHSJSX-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.84
Rot. Bonds6

About N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 18589145) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID18589145
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCc1cccs1)c1cccs1
InChIInChI=1S/C15H19N3O2S2/c1-18(2)12(13-6-4-8-22-13)10-17-15(20)14(19)16-9-11-5-3-7-21-11/h3-8,12H,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZEZRQIHCQHSJSX-UHFFFAOYSA-N
XLogP1.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide 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-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 18589145) is N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide is CN(C)C(CNC(=O)C(=O)NCc1cccs1)c1cccs1.
What is the InChIKey of N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is ZEZRQIHCQHSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-18(2)12(13-6-4-8-22-13)10-17-15(20)14(19)16-9-11-5-3-7-21-11/h3-8,12H,9-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 337.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 18589145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).