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

C20H29NO2S2 — CID 55382021

IUPACN-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NC1CCCCCCC1
InChIInChI=1S/C20H29NO2S2/c22-19(21-17-7-4-2-1-3-5-8-17)15-23-18-11-9-16(10-12-18)20-24-13-6-14-25-20/h9-12,17,20H,1-8,13-15H2,(H,21,22)
InChIKeyDVVZUQVUNWRNDP-UHFFFAOYSA-N
MW379.59 g/mol
LogP5.16
Rot. Bonds5

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

N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (PubChem CID 55382021) has the molecular formula C20H29NO2S2 and a molecular weight of 379.59 g/mol. Its IUPAC name is N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
PubChem CID55382021
Molecular FormulaC20H29NO2S2
Molecular Weight379.59 g/mol
Exact Mass379.16
IUPAC NameN-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NC1CCCCCCC1
InChIInChI=1S/C20H29NO2S2/c22-19(21-17-7-4-2-1-3-5-8-17)15-23-18-11-9-16(10-12-18)20-24-13-6-14-25-20/h9-12,17,20H,1-8,13-15H2,(H,21,22)
InChIKeyDVVZUQVUNWRNDP-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744492
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119613592
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-[4-(1,3-dithian-2-yl)phenoxy]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119560442

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The IUPAC name of N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (CID 55382021) is N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The canonical SMILES for N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is O=C(COc1ccc(C2SCCCS2)cc1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The InChIKey is DVVZUQVUNWRNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S2/c22-19(21-17-7-4-2-1-3-5-8-17)15-23-18-11-9-16(10-12-18)20-24-13-6-14-25-20/h9-12,17,20H,1-8,13-15H2,(H,21,22).
What are the key properties of N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide has a molecular weight of 379.59 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is sourced from PubChem (CID 55382021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).