N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide

C20H23NO2S — CID 90584326

IUPACN-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
SMILESCOC1(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CCSC1
InChIInChI=1S/C20H23NO2S/c1-23-20(11-12-24-15-20)14-21-19(22)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyJVSXNDPIQMMEOK-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.53
Rot. Bonds6

About N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide

N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 90584326) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
PubChem CID90584326
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
SMILESCOC1(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CCSC1
InChIInChI=1S/C20H23NO2S/c1-23-20(11-12-24-15-20)14-21-19(22)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyJVSXNDPIQMMEOK-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)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

2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
2-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584319
N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide
CID 71804867
2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide
CID 91816762
2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584533

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide (CID 90584326) is N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide is COC1(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is JVSXNDPIQMMEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-23-20(11-12-24-15-20)14-21-19(22)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,22).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide?
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 90584326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).