N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide

C15H23NO2S — CID 154844391

IUPACN-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide
SMILESCCS(C)(=O)=NC(=O)CC(C)CCc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-19(3,18)16-15(17)12-13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyAABWPFKTOMBQFD-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.29
Rot. Bonds6

About N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide

N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide (PubChem CID 154844391) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide
PubChem CID154844391
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide
SMILESCCS(C)(=O)=NC(=O)CC(C)CCc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-19(3,18)16-15(17)12-13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyAABWPFKTOMBQFD-UHFFFAOYSA-N
XLogP3.29
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-phenylpentanamide
CID 66761020
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
5-methyl-1-phenyloctan-3-one
CID 62622474
1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
CID 71882918
2-methyl-4-phenylbutanoic acid
CID 66896591
(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide
CID 94219124
(2S)-2-methyl-N-(2-methylsulfonylethyl)-4-phenylbutan-1-amine
CID 97250634
(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
CID 120511517
(2S)-4-phenyl-2-(propan-2-ylsulfamoylamino)butanoic acid
CID 104983267
ethane;formic acid;methanamine;[(3S)-3-methylpentyl]benzene
CID 154682352
[6-(benzenesulfonyl)-3-methylhept-6-enyl]benzene
CID 101203981
4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794244

Frequently Asked Questions

What is the IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide?
The IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide (CID 154844391) is N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide.
What is the SMILES notation for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide?
The canonical SMILES for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide is CCS(C)(=O)=NC(=O)CC(C)CCc1ccccc1.
What is the InChIKey of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide?
The InChIKey is AABWPFKTOMBQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-19(3,18)16-15(17)12-13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide?
N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide has a molecular weight of 281.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-3-methyl-5-phenylpentanamide is sourced from PubChem (CID 154844391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).