N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide

C11H16N2O3S — CID 44998181

IUPACN'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCOCC(C)NC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-8(7-16-2)13-11(15)10(14)12-6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyVSAPXNDIHBEEBH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.52
Rot. Bonds5

About N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide

N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 44998181) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID44998181
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCOCC(C)NC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-8(7-16-2)13-11(15)10(14)12-6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyVSAPXNDIHBEEBH-UHFFFAOYSA-N
XLogP0.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(1-methoxypropan-2-yl)-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

Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
CID 2448225
3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
N1,N2-Bis(thiophen-2-ylmethyl)oxalamide
CID 6421749
methyl N-[(thiophen-2-ylmethyl)carbamoyl]-L-valinate
CID 663465
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
N~1~-butyl-N~2~-{[(3-morpholin-4-ylpropyl)(thien-2-ylmethyl)amino]carbonothioyl}glycinamide
CID 12005419
N-[2-(Dimethylamino)ethyl]-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 16193352
N-[3-(Diethylamino)propyl]-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 16193384

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide (CID 44998181) is N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide is COCC(C)NC(=O)C(=O)NCc1cccs1.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is VSAPXNDIHBEEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(7-16-2)13-11(15)10(14)12-6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 256.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 44998181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).