N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide

C15H24N2O2S — CID 115894505

IUPACN-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCCC(C)S(C)=O)c1
InChIInChI=1S/C15H24N2O2S/c1-11(20(4)19)8-9-16-12(2)14-6-5-7-15(10-14)17-13(3)18/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyZNILNTWASDMRQD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.45
Rot. Bonds7

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

N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide (PubChem CID 115894505) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide
PubChem CID115894505
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCCC(C)S(C)=O)c1
InChIInChI=1S/C15H24N2O2S/c1-11(20(4)19)8-9-16-12(2)14-6-5-7-15(10-14)17-13(3)18/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyZNILNTWASDMRQD-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348948
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
(3R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 97103906
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
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
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-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide (CID 115894505) is N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCCC(C)S(C)=O)c1.
What is the InChIKey of N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide?
The InChIKey is ZNILNTWASDMRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(20(4)19)8-9-16-12(2)14-6-5-7-15(10-14)17-13(3)18/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide?
N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 115894505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).