N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide

C24H24N2O3S — CID 56583238

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccnc2ccccc12)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C24H24N2O3S/c27-23(16-30-22-9-12-25-19-6-2-1-5-18(19)22)26-24(10-3-4-11-24)17-7-8-20-21(15-17)29-14-13-28-20/h1-2,5-9,12,15H,3-4,10-11,13-14,16H2,(H,26,27)
InChIKeyOISVZKBRFCGOBZ-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.68
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide (PubChem CID 56583238) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide
PubChem CID56583238
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccnc2ccccc12)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C24H24N2O3S/c27-23(16-30-22-9-12-25-19-6-2-1-5-18(19)22)26-24(10-3-4-11-24)17-7-8-20-21(15-17)29-14-13-28-20/h1-2,5-9,12,15H,3-4,10-11,13-14,16H2,(H,26,27)
InChIKeyOISVZKBRFCGOBZ-UHFFFAOYSA-N
XLogP4.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide
CID 41479313
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24557365
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 46658074
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 126770794
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
CID 24557148
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
2-quinolin-4-ylsulfanylacetohydrazide
CID 57355260
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
CID 24557014
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylsulfanylbenzamide
CID 112806079
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
CID 113091265

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide (CID 56583238) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide is O=C(CSc1ccnc2ccccc12)NC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide?
The InChIKey is OISVZKBRFCGOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-23(16-30-22-9-12-25-19-6-2-1-5-18(19)22)26-24(10-3-4-11-24)17-7-8-20-21(15-17)29-14-13-28-20/h1-2,5-9,12,15H,3-4,10-11,13-14,16H2,(H,26,27).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide has a molecular weight of 420.53 g/mol, XLogP of 4.68, 5 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]-2-quinolin-4-ylsulfanylacetamide is sourced from PubChem (CID 56583238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).