2-(4-ethylsulfanylphenyl)pentanediamide

C13H18N2O2S — CID 54414238

IUPAC2-(4-ethylsulfanylphenyl)pentanediamide
SMILESCCSc1ccc(C(CCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C13H18N2O2S/c1-2-18-10-5-3-9(4-6-10)11(13(15)17)7-8-12(14)16/h3-6,11H,2,7-8H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyVWGILABAMUKKKL-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.63
Rot. Bonds7

About 2-(4-ethylsulfanylphenyl)pentanediamide

2-(4-ethylsulfanylphenyl)pentanediamide (PubChem CID 54414238) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)pentanediamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)pentanediamide
PubChem CID54414238
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(4-ethylsulfanylphenyl)pentanediamide
SMILESCCSc1ccc(C(CCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C13H18N2O2S/c1-2-18-10-5-3-9(4-6-10)11(13(15)17)7-8-12(14)16/h3-6,11H,2,7-8H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyVWGILABAMUKKKL-UHFFFAOYSA-N
XLogP1.63
TPSA86.18 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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)pentanediamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)pentanediamide (CID 54414238) is 2-(4-ethylsulfanylphenyl)pentanediamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)pentanediamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)pentanediamide is CCSc1ccc(C(CCC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)pentanediamide?
The InChIKey is VWGILABAMUKKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-18-10-5-3-9(4-6-10)11(13(15)17)7-8-12(14)16/h3-6,11H,2,7-8H2,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 2-(4-ethylsulfanylphenyl)pentanediamide?
2-(4-ethylsulfanylphenyl)pentanediamide has a molecular weight of 266.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)pentanediamide is sourced from PubChem (CID 54414238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).