N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide

C16H24N2O2S — CID 43369412

IUPACN-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cccc(OCC(N)=S)c1
InChIInChI=1S/C16H24N2O2S/c1-2-3-4-5-6-10-16(19)18-13-8-7-9-14(11-13)20-12-15(17)21/h7-9,11H,2-6,10,12H2,1H3,(H2,17,21)(H,18,19)
InChIKeyCOEVPVFZPJAHQC-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.65
Rot. Bonds10

About N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide

N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide (PubChem CID 43369412) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
PubChem CID43369412
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cccc(OCC(N)=S)c1
InChIInChI=1S/C16H24N2O2S/c1-2-3-4-5-6-10-16(19)18-13-8-7-9-14(11-13)20-12-15(17)21/h7-9,11H,2-6,10,12H2,1H3,(H2,17,21)(H,18,19)
InChIKeyCOEVPVFZPJAHQC-UHFFFAOYSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
N-[(3-butoxyphenyl)carbamothioyl]octanamide
CID 17095226
N-[(3-heptoxyphenyl)carbamothioyl]tetradecanamide
CID 54791342
3-(heptanoylamino)benzamide
CID 54789184
ethyl 7-(3-ethoxyanilino)-7-oxoheptanoate
CID 139378123
(3-hexoxyphenyl)urea
CID 102387253
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]heptanamide
CID 54789073
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide?
The IUPAC name of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide (CID 43369412) is N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide.
What is the SMILES notation for N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide?
The canonical SMILES for N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide is CCCCCCCC(=O)Nc1cccc(OCC(N)=S)c1.
What is the InChIKey of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide?
The InChIKey is COEVPVFZPJAHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-3-4-5-6-10-16(19)18-13-8-7-9-14(11-13)20-12-15(17)21/h7-9,11H,2-6,10,12H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide?
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide has a molecular weight of 308.45 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide is sourced from PubChem (CID 43369412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).