2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide

C22H27NO2S — CID 43016040

IUPAC2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccccc1SCC1CCCO1)c1ccccc1
InChIInChI=1S/C22H27NO2S/c1-2-17(18-9-4-3-5-10-18)15-23-22(24)20-12-6-7-13-21(20)26-16-19-11-8-14-25-19/h3-7,9-10,12-13,17,19H,2,8,11,14-16H2,1H3,(H,23,24)
InChIKeyODCZYDCQZJTTIS-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.88
Rot. Bonds8

About 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide

2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide (PubChem CID 43016040) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
PubChem CID43016040
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccccc1SCC1CCCO1)c1ccccc1
InChIInChI=1S/C22H27NO2S/c1-2-17(18-9-4-3-5-10-18)15-23-22(24)20-12-6-7-13-21(20)26-16-19-11-8-14-25-19/h3-7,9-10,12-13,17,19H,2,8,11,14-16H2,1H3,(H,23,24)
InChIKeyODCZYDCQZJTTIS-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55724333
N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 24584032
N-[2-(2-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 46562523
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
N-(4-acetamido-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56580443
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55715342

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide (CID 43016040) is 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccccc1SCC1CCCO1)c1ccccc1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide?
The InChIKey is ODCZYDCQZJTTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-2-17(18-9-4-3-5-10-18)15-23-22(24)20-12-6-7-13-21(20)26-16-19-11-8-14-25-19/h3-7,9-10,12-13,17,19H,2,8,11,14-16H2,1H3,(H,23,24).
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide?
2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide has a molecular weight of 369.53 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 43016040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).