N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide

C16H25NOS — CID 155936111

IUPACN,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide
SMILESCN(C)C(=O)CCC(C)(C)SCCc1ccccc1
InChIInChI=1S/C16H25NOS/c1-16(2,12-10-15(18)17(3)4)19-13-11-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyOIJXWYDSKKAGLI-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.61
Rot. Bonds7

About N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide

N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide (PubChem CID 155936111) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide.

Molecular Properties

Compound NameN,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide
PubChem CID155936111
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide
SMILESCN(C)C(=O)CCC(C)(C)SCCc1ccccc1
InChIInChI=1S/C16H25NOS/c1-16(2,12-10-15(18)17(3)4)19-13-11-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyOIJXWYDSKKAGLI-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5R)-5-methyl-1-[(2R)-2-methyl-3-(4-methylphenyl)sulfanylpropyl]azepan-2-one
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5-Methyl-1-[2-(p-tolylthio)ethyl]azepan-2-one
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S-[3-oxo-3-[[4-oxo-4-(2-phenylethylamino)butyl]amino]propyl] ethanethioate
CID 90024758
1-{[(4-Methylbenzyl)thio]acetyl}pyrrolidine
CID 875580
N-[2-(1-cyclohexenyl)ethyl]-3-[(4-methylphenyl)methylthio]propanamide
CID 4086401
(5R)-5-methyl-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-2-one
CID 24789471
3-[2-(2-Fluorophenyl)ethyl]-1-[3-(methylthio)propanoyl]piperidine
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2-(Bis(4-fluorophenyl)methylthio)-N,N-dimethylacetamide
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2-benzhydrylsulfinyl-N,N-dimethylacetamide
CID 53325625

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide?
The IUPAC name of N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide (CID 155936111) is N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide.
What is the SMILES notation for N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide?
The canonical SMILES for N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide is CN(C)C(=O)CCC(C)(C)SCCc1ccccc1.
What is the InChIKey of N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide?
The InChIKey is OIJXWYDSKKAGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-16(2,12-10-15(18)17(3)4)19-13-11-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3.
What are the key properties of N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide?
N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide has a molecular weight of 279.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-4-(2-phenylethylsulfanyl)pentanamide is sourced from PubChem (CID 155936111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).