N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide

C21H25NO2S — CID 90584333

IUPACN-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
SMILESCOC1(CNC(=O)CC(c2ccccc2)c2ccccc2)CCSC1
InChIInChI=1S/C21H25NO2S/c1-24-21(12-13-25-16-21)15-22-20(23)14-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,23)
InChIKeyUVKDPHFHWPRRSY-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.85
Rot. Bonds7

About N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide

N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide (PubChem CID 90584333) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
PubChem CID90584333
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
SMILESCOC1(CNC(=O)CC(c2ccccc2)c2ccccc2)CCSC1
InChIInChI=1S/C21H25NO2S/c1-24-21(12-13-25-16-21)15-22-20(23)14-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,23)
InChIKeyUVKDPHFHWPRRSY-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxothiolan-3-yl)-2,2-diphenylacetamide
CID 3136355
N-[(3S)-2-oxothiolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 50991377
2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide
CID 2284157
Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
CID 3079239
L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (R)-
CID 5747956
N-{2-[(3-methylbenzyl)thio]ethyl}-3-phenylpropanamide
CID 2205519
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (R)-
CID 3079238
L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
CID 5747957
N-(2-oxothiolan-3-yl)-3-phenylbutanamide
CID 2914750
N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide
CID 6458135
S-[(2S)-2-amino-3-phenylpropyl] 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]ethanethioate
CID 15003884

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide (CID 90584333) is N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide is COC1(CNC(=O)CC(c2ccccc2)c2ccccc2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide?
The InChIKey is UVKDPHFHWPRRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-24-21(12-13-25-16-21)15-22-20(23)14-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,23).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide?
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide has a molecular weight of 355.50 g/mol, XLogP of 3.85, 7 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]-3,3-diphenylpropanamide is sourced from PubChem (CID 90584333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).