N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide

C13H18N2O2S — CID 43369499

IUPACN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C13H18N2O2S/c1-2-3-8-13(16)15-10-6-4-5-7-11(10)17-9-12(14)18/h4-7H,2-3,8-9H2,1H3,(H2,14,18)(H,15,16)
InChIKeyUGLFTFMFWRHDGG-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.48
Rot. Bonds7

About N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide

N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide (PubChem CID 43369499) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
PubChem CID43369499
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C13H18N2O2S/c1-2-3-8-13(16)15-10-6-4-5-7-11(10)17-9-12(14)18/h4-7H,2-3,8-9H2,1H3,(H2,14,18)(H,15,16)
InChIKeyUGLFTFMFWRHDGG-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
CID 43175553
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
[2-(pentanoylamino)phenyl] formate
CID 54559360
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide?
The IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide (CID 43369499) is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide.
What is the SMILES notation for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide?
The canonical SMILES for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide is CCCCC(=O)Nc1ccccc1OCC(N)=S.
What is the InChIKey of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide?
The InChIKey is UGLFTFMFWRHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-3-8-13(16)15-10-6-4-5-7-11(10)17-9-12(14)18/h4-7H,2-3,8-9H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide?
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide has a molecular weight of 266.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide is sourced from PubChem (CID 43369499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).