2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide

C12H18N2O2S — CID 114162393

IUPAC2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
SMILESNC(=O)COCCNCCSc1ccccc1
InChIInChI=1S/C12H18N2O2S/c13-12(15)10-16-8-6-14-7-9-17-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H2,13,15)
InChIKeyCTHCTEKCXTZNRI-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.87
Rot. Bonds9

About 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide

2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide (PubChem CID 114162393) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
PubChem CID114162393
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
SMILESNC(=O)COCCNCCSc1ccccc1
InChIInChI=1S/C12H18N2O2S/c13-12(15)10-16-8-6-14-7-9-17-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H2,13,15)
InChIKeyCTHCTEKCXTZNRI-UHFFFAOYSA-N
XLogP0.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylsulfanylethylamino)butanamide
CID 79214062
2-(2-phenylsulfanylethylamino)ethylurea
CID 83113958
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
ethyl 2-(2-phenylsulfanylethylamino)acetate
CID 60681841
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
CID 103178650
4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid
CID 106238465
methyl 2-(2-phenylsulfanylethylamino)propanoate
CID 20791940
tert-butyl 3-(2-phenylsulfanylethylamino)propanoate
CID 103240872

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide (CID 114162393) is 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide is NC(=O)COCCNCCSc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide?
The InChIKey is CTHCTEKCXTZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-12(15)10-16-8-6-14-7-9-17-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H2,13,15).
What are the key properties of 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide?
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide has a molecular weight of 254.35 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide is sourced from PubChem (CID 114162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).