N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide

C15H21NO2S — CID 50972055

IUPACN-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESCSCCC(=O)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C15H21NO2S/c1-19-13-9-15(18)16(11-12-17)10-5-8-14-6-3-2-4-7-14/h2-8,17H,9-13H2,1H3/b8-5+
InChIKeyNFMLDFFYOADDTK-VMPITWQZSA-N
MW279.41 g/mol
LogP2.27
Rot. Bonds8

About N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide

N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide (PubChem CID 50972055) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide
PubChem CID50972055
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESCSCCC(=O)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C15H21NO2S/c1-19-13-9-15(18)16(11-12-17)10-5-8-14-6-3-2-4-7-14/h2-8,17H,9-13H2,1H3/b8-5+
InChIKeyNFMLDFFYOADDTK-VMPITWQZSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide (CID 50972055) is N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide is CSCCC(=O)N(C/C=C/c1ccccc1)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The InChIKey is NFMLDFFYOADDTK-VMPITWQZSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-19-13-9-15(18)16(11-12-17)10-5-8-14-6-3-2-4-7-14/h2-8,17H,9-13H2,1H3/b8-5+.
What are the key properties of N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide has a molecular weight of 279.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide is sourced from PubChem (CID 50972055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).