N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide

C15H23NO2S — CID 111483364

IUPACN-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-15(18,5-2)11-16-14(17)12(3)19-13-9-7-6-8-10-13/h6-10,12,18H,4-5,11H2,1-3H3,(H,16,17)
InChIKeyOZMUDLWTCXGBBQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.83
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide

N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide (PubChem CID 111483364) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide
PubChem CID111483364
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-15(18,5-2)11-16-14(17)12(3)19-13-9-7-6-8-10-13/h6-10,12,18H,4-5,11H2,1-3H3,(H,16,17)
InChIKeyOZMUDLWTCXGBBQ-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
CID 94101620
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide (CID 111483364) is N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide is CCC(O)(CC)CNC(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide?
The InChIKey is OZMUDLWTCXGBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-15(18,5-2)11-16-14(17)12(3)19-13-9-7-6-8-10-13/h6-10,12,18H,4-5,11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide?
N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 111483364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).