N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide

C18H23NO3S — CID 111436212

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCSCC(C)(O)CNC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C18H23NO3S/c1-18(21,13-23-2)12-19-17(20)11-9-15-8-10-16(22-15)14-6-4-3-5-7-14/h3-8,10,21H,9,11-13H2,1-2H3,(H,19,20)
InChIKeyGGPFFTBLGGDQNL-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.11
Rot. Bonds8

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 111436212) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide
PubChem CID111436212
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCSCC(C)(O)CNC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C18H23NO3S/c1-18(21,13-23-2)12-19-17(20)11-9-15-8-10-16(22-15)14-6-4-3-5-7-14/h3-8,10,21H,9,11-13H2,1-2H3,(H,19,20)
InChIKeyGGPFFTBLGGDQNL-UHFFFAOYSA-N
XLogP3.11
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)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

N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111480285
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
CID 111436003
N-(3-phenoxypropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 18120278
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42959591
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
3-(5-phenylfuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483404
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18269193
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 55980917
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18127068

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide (CID 111436212) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide is CSCC(C)(O)CNC(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is GGPFFTBLGGDQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(21,13-23-2)12-19-17(20)11-9-15-8-10-16(22-15)14-6-4-3-5-7-14/h3-8,10,21H,9,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 333.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 111436212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).