N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide

C14H22N2O2S — CID 115718801

IUPACN-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
SMILESCCS(=O)CCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H22N2O2S/c1-4-19(18)9-8-15-11(2)13-6-5-7-14(10-13)16-12(3)17/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyGLJIFXWCWBBQRO-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.06
Rot. Bonds7

About N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide

N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide (PubChem CID 115718801) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
PubChem CID115718801
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
SMILESCCS(=O)CCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H22N2O2S/c1-4-19(18)9-8-15-11(2)13-6-5-7-14(10-13)16-12(3)17/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyGLJIFXWCWBBQRO-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide
CID 115894505
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
CID 115900103
N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
CID 115718870
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide (CID 115718801) is N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide is CCS(=O)CCNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide?
The InChIKey is GLJIFXWCWBBQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-19(18)9-8-15-11(2)13-6-5-7-14(10-13)16-12(3)17/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide?
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 115718801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).