2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide

C13H22N2O2S — CID 113407006

IUPAC2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC(O)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-15-13(17)10(3)14-8-11(16)12-5-4-6-18-12/h4-6,9-11,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyKWCHOIQDMGDWIR-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.53
Rot. Bonds7

About 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide

2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113407006) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113407006
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC(O)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-15-13(17)10(3)14-8-11(16)12-5-4-6-18-12/h4-6,9-11,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyKWCHOIQDMGDWIR-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide 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

2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
CID 97325285
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide (CID 113407006) is 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCC(O)c1cccs1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is KWCHOIQDMGDWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)7-15-13(17)10(3)14-8-11(16)12-5-4-6-18-12/h4-6,9-11,14,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide?
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 270.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113407006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).