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

C20H22N2O3S — CID 41479313

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C20H22N2O3S/c23-18(14-26-19-5-1-4-10-21-19)22-20(8-2-3-9-20)15-6-7-16-17(13-15)25-12-11-24-16/h1,4-7,10,13H,2-3,8-9,11-12,14H2,(H,22,23)
InChIKeyLPDJZMBNGJHYMJ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.53
Rot. Bonds5

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 41479313) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID41479313
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C20H22N2O3S/c23-18(14-26-19-5-1-4-10-21-19)22-20(8-2-3-9-20)15-6-7-16-17(13-15)25-12-11-24-16/h1,4-7,10,13H,2-3,8-9,11-12,14H2,(H,22,23)
InChIKeyLPDJZMBNGJHYMJ-UHFFFAOYSA-N
XLogP3.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.53
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-quinolin-4-ylsulfanylacetamide
CID 56583238
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 126770794
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24557365
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]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 46658074
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(pyridin-2-ylmethyl)urea
CID 113215953
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
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
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)cyclopentyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 25474083
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylsulfanylbenzamide
CID 112806079

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide (CID 41479313) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is LPDJZMBNGJHYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-18(14-26-19-5-1-4-10-21-19)22-20(8-2-3-9-20)15-6-7-16-17(13-15)25-12-11-24-16/h1,4-7,10,13H,2-3,8-9,11-12,14H2,(H,22,23).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.53, 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-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 41479313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).