N-(1-phenyl-2-propylsulfanylethyl)acetamide

C13H19NOS — CID 141414603

IUPACN-(1-phenyl-2-propylsulfanylethyl)acetamide
SMILESCCCSCC(NC(C)=O)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-3-9-16-10-13(14-11(2)15)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyQMUTXTFRJALMME-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.01
Rot. Bonds6

About N-(1-phenyl-2-propylsulfanylethyl)acetamide

N-(1-phenyl-2-propylsulfanylethyl)acetamide (PubChem CID 141414603) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(1-phenyl-2-propylsulfanylethyl)acetamide.

Molecular Properties

Compound NameN-(1-phenyl-2-propylsulfanylethyl)acetamide
PubChem CID141414603
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(1-phenyl-2-propylsulfanylethyl)acetamide
SMILESCCCSCC(NC(C)=O)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-3-9-16-10-13(14-11(2)15)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyQMUTXTFRJALMME-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylsulfanyl-1-phenylethyl)acetamide
CID 13447277
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
CID 141414605
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
N-(2-diethylphosphanyl-1-phenylethyl)acetamide
CID 175089746
N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
CID 15686336
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
CID 57067406
CID 57067406

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-propylsulfanylethyl)acetamide?
The IUPAC name of N-(1-phenyl-2-propylsulfanylethyl)acetamide (CID 141414603) is N-(1-phenyl-2-propylsulfanylethyl)acetamide.
What is the SMILES notation for N-(1-phenyl-2-propylsulfanylethyl)acetamide?
The canonical SMILES for N-(1-phenyl-2-propylsulfanylethyl)acetamide is CCCSCC(NC(C)=O)c1ccccc1.
What is the InChIKey of N-(1-phenyl-2-propylsulfanylethyl)acetamide?
The InChIKey is QMUTXTFRJALMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-9-16-10-13(14-11(2)15)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-(1-phenyl-2-propylsulfanylethyl)acetamide?
N-(1-phenyl-2-propylsulfanylethyl)acetamide has a molecular weight of 237.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-propylsulfanylethyl)acetamide is sourced from PubChem (CID 141414603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).