N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

C18H22N2O2S2 — CID 86913662

IUPACN-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESN#CC1(NC(=O)COc2ccc(C3SCCCS3)cc2)CCCC1
InChIInChI=1S/C18H22N2O2S2/c19-13-18(8-1-2-9-18)20-16(21)12-22-15-6-4-14(5-7-15)17-23-10-3-11-24-17/h4-7,17H,1-3,8-12H2,(H,20,21)
InChIKeyOLUWVJNWWSYXMU-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.89
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (PubChem CID 86913662) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
PubChem CID86913662
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESN#CC1(NC(=O)COc2ccc(C3SCCCS3)cc2)CCCC1
InChIInChI=1S/C18H22N2O2S2/c19-13-18(8-1-2-9-18)20-16(21)12-22-15-6-4-14(5-7-15)17-23-10-3-11-24-17/h4-7,17H,1-3,8-12H2,(H,20,21)
InChIKeyOLUWVJNWWSYXMU-UHFFFAOYSA-N
XLogP3.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026920
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7561018
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
CID 106485018
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 106485095
N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55436153
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 97258871
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (CID 86913662) is N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is N#CC1(NC(=O)COc2ccc(C3SCCCS3)cc2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The InChIKey is OLUWVJNWWSYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c19-13-18(8-1-2-9-18)20-16(21)12-22-15-6-4-14(5-7-15)17-23-10-3-11-24-17/h4-7,17H,1-3,8-12H2,(H,20,21).
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide has a molecular weight of 362.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is sourced from PubChem (CID 86913662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).