N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide

C16H23NO2S — CID 71804835

IUPACN-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide
SMILESCOC1(CNC(=O)CCCc2ccccc2)CCSC1
InChIInChI=1S/C16H23NO2S/c1-19-16(10-11-20-13-16)12-17-15(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,18)
InChIKeyPUYIRDJYRWYJPI-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.65
Rot. Bonds7

About N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide

N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide (PubChem CID 71804835) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide
PubChem CID71804835
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide
SMILESCOC1(CNC(=O)CCCc2ccccc2)CCSC1
InChIInChI=1S/C16H23NO2S/c1-19-16(10-11-20-13-16)12-17-15(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,18)
InChIKeyPUYIRDJYRWYJPI-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxothiolan-3-yl)-3-phenylpropanamide
CID 2905735
N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide
CID 2175268
3-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
S-[3-oxo-3-[[4-oxo-4-(2-phenylethylamino)butyl]amino]propyl] ethanethioate
CID 90024758
N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
CID 3354646
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-oxothiolan-3-yl)-4-phenylbutanamide
CID 2915927
N-{2-[(3-methylbenzyl)thio]ethyl}-3-phenylpropanamide
CID 2205519
N-[(3S)-2-oxothiolan-3-yl]-2-phenylacetamide
CID 56659166
Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)-
CID 3073277

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide (CID 71804835) is N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide is COC1(CNC(=O)CCCc2ccccc2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide?
The InChIKey is PUYIRDJYRWYJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-19-16(10-11-20-13-16)12-17-15(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,18).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide?
N-[(3-methoxythiolan-3-yl)methyl]-4-phenylbutanamide has a molecular weight of 293.43 g/mol, XLogP of 2.65, 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]-4-phenylbutanamide is sourced from PubChem (CID 71804835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).