N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide

C26H31NO4S — CID 55527249

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C26H31NO4S/c28-25(21-7-1-2-8-24(21)32-17-20-6-5-13-29-20)27-18-26(11-3-4-12-26)19-9-10-22-23(16-19)31-15-14-30-22/h1-2,7-10,16,20H,3-6,11-15,17-18H2,(H,27,28)
InChIKeyRYOLMXCGLFBXGZ-UHFFFAOYSA-N
MW453.60 g/mol
LogP4.97
Rot. Bonds7

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 55527249) has the molecular formula C26H31NO4S and a molecular weight of 453.60 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID55527249
Molecular FormulaC26H31NO4S
Molecular Weight453.60 g/mol
Exact Mass453.20
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C26H31NO4S/c28-25(21-7-1-2-8-24(21)32-17-20-6-5-13-29-20)27-18-26(11-3-4-12-26)19-9-10-22-23(16-19)31-15-14-30-22/h1-2,7-10,16,20H,3-6,11-15,17-18H2,(H,27,28)
InChIKeyRYOLMXCGLFBXGZ-UHFFFAOYSA-N
XLogP4.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide with MolForge

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Related Compounds

2-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-2-oxoethyl]sulfanylbenzamide
CID 166200591
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86892943
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 34053859
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 71895364
3-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]benzamide
CID 119697137
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 43067806
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46418035
2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
CID 43016040
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 24584032

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 55527249) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1SCC1CCCO1.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is RYOLMXCGLFBXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4S/c28-25(21-7-1-2-8-24(21)32-17-20-6-5-13-29-20)27-18-26(11-3-4-12-26)19-9-10-22-23(16-19)31-15-14-30-22/h1-2,7-10,16,20H,3-6,11-15,17-18H2,(H,27,28).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 453.60 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55527249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).