N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide

C16H19NO3S — CID 103771719

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H19NO3S/c1-12-4-2-3-5-15(12)20-8-6-16(19)17-10-14(18)13-7-9-21-11-13/h2-5,7,9,11,14,18H,6,8,10H2,1H3,(H,17,19)
InChIKeyLHYIRQIRXULSNO-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.68
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide (PubChem CID 103771719) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
PubChem CID103771719
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H19NO3S/c1-12-4-2-3-5-15(12)20-8-6-16(19)17-10-14(18)13-7-9-21-11-13/h2-5,7,9,11,14,18H,6,8,10H2,1H3,(H,17,19)
InChIKeyLHYIRQIRXULSNO-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)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

3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434358
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
CID 111441693
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide (CID 103771719) is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide?
The InChIKey is LHYIRQIRXULSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-4-2-3-5-15(12)20-8-6-16(19)17-10-14(18)13-7-9-21-11-13/h2-5,7,9,11,14,18H,6,8,10H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 103771719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).