N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

C23H27NO2S2 — CID 55599322

IUPACN-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C23H27NO2S2/c25-23(21-9-3-4-10-22(21)27-16-18-6-5-15-26-18)24-17-11-13-20(14-12-17)28-19-7-1-2-8-19/h3-4,9-14,18-19H,1-2,5-8,15-16H2,(H,24,25)
InChIKeyOQCMRPQLNHOOAF-UHFFFAOYSA-N
MW413.61 g/mol
LogP6.24
Rot. Bonds7

About N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 55599322) has the molecular formula C23H27NO2S2 and a molecular weight of 413.61 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID55599322
Molecular FormulaC23H27NO2S2
Molecular Weight413.61 g/mol
Exact Mass413.15
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C23H27NO2S2/c25-23(21-9-3-4-10-22(21)27-16-18-6-5-15-26-18)24-17-11-13-20(14-12-17)28-19-7-1-2-8-19/h3-4,9-14,18-19H,1-2,5-8,15-16H2,(H,24,25)
InChIKeyOQCMRPQLNHOOAF-UHFFFAOYSA-N
XLogP6.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 71895364
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9291506
diethyl 5-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55395617
N-(4-acetamido-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56580443
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 40796962

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 55599322) is N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is O=C(Nc1ccc(SC2CCCC2)cc1)c1ccccc1SCC1CCCO1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is OQCMRPQLNHOOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2S2/c25-23(21-9-3-4-10-22(21)27-16-18-6-5-15-26-18)24-17-11-13-20(14-12-17)28-19-7-1-2-8-19/h3-4,9-14,18-19H,1-2,5-8,15-16H2,(H,24,25).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 413.61 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55599322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).