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

C15H24N2OS — CID 115900103

IUPACN-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
SMILESCCSCCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H24N2OS/c1-4-19-10-6-9-16-12(2)14-7-5-8-15(11-14)17-13(3)18/h5,7-8,11-12,16H,4,6,9-10H2,1-3H3,(H,17,18)
InChIKeyNFIPTPWXUIBUQM-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.44
Rot. Bonds8

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

N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide (PubChem CID 115900103) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
PubChem CID115900103
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
SMILESCCSCCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H24N2OS/c1-4-19-10-6-9-16-12(2)14-7-5-8-15(11-14)17-13(3)18/h5,7-8,11-12,16H,4,6,9-10H2,1-3H3,(H,17,18)
InChIKeyNFIPTPWXUIBUQM-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
N-[1-(3-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115899474
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
N-[3-[1-[3-(2-methoxyethoxy)propylamino]ethyl]phenyl]acetamide
CID 43206933
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide
CID 115894505
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-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide
CID 103178645

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide (CID 115900103) is N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide is CCSCCCNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide?
The InChIKey is NFIPTPWXUIBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-19-10-6-9-16-12(2)14-7-5-8-15(11-14)17-13(3)18/h5,7-8,11-12,16H,4,6,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide?
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide has a molecular weight of 280.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 115900103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).