N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide

C13H17NO2S — CID 155795563

IUPACN-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2C[C@@H](C)CO2)cc1
InChIInChI=1S/C13H17NO2S/c1-9-7-13(16-8-9)17-12-5-3-11(4-6-12)14-10(2)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)/t9-,13?/m1/s1
InChIKeyMLTIEVFTCHDEPL-CGCSKFHYSA-N
MW251.35 g/mol
LogP3.12
Rot. Bonds3

About N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide

N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide (PubChem CID 155795563) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide
PubChem CID155795563
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2C[C@@H](C)CO2)cc1
InChIInChI=1S/C13H17NO2S/c1-9-7-13(16-8-9)17-12-5-3-11(4-6-12)14-10(2)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)/t9-,13?/m1/s1
InChIKeyMLTIEVFTCHDEPL-CGCSKFHYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide 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-morpholin-2-ylsulfanylphenyl)acetamide
CID 117034195
N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
CID 60713577
N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
CID 64648380
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 2421922
N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
CID 64648961
N-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 42974876
acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
CID 143596211
N-[4-[3-(4-acetamidophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 19630691
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
CID 90397286
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110637499
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide (CID 155795563) is N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC2C[C@@H](C)CO2)cc1.
What is the InChIKey of N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide?
The InChIKey is MLTIEVFTCHDEPL-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9-7-13(16-8-9)17-12-5-3-11(4-6-12)14-10(2)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)/t9-,13?/m1/s1.
What are the key properties of N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide?
N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide has a molecular weight of 251.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 155795563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).