(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide

C25H25NOS — CID 164898997

IUPAC(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide
SMILESC[C@@H](/C=C/c1ccccc1)[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H25NOS/c1-20(17-18-21-11-5-2-6-12-21)24(28-23-15-9-4-10-16-23)25(27)26-19-22-13-7-3-8-14-22/h2-18,20,24H,19H2,1H3,(H,26,27)/b18-17+/t20-,24+/m0/s1
InChIKeyBOZFTIIVFIXZCY-WTYGBKJTSA-N
MW387.55 g/mol
LogP5.81
Rot. Bonds8

About (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide

(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide (PubChem CID 164898997) has the molecular formula C25H25NOS and a molecular weight of 387.55 g/mol. Its IUPAC name is (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide.

Molecular Properties

Compound Name(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide
PubChem CID164898997
Molecular FormulaC25H25NOS
Molecular Weight387.55 g/mol
Exact Mass387.17
IUPAC Name(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide
SMILESC[C@@H](/C=C/c1ccccc1)[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H25NOS/c1-20(17-18-21-11-5-2-6-12-21)24(28-23-15-9-4-10-16-23)25(27)26-19-22-13-7-3-8-14-22/h2-18,20,24H,19H2,1H3,(H,26,27)/b18-17+/t20-,24+/m0/s1
InChIKeyBOZFTIIVFIXZCY-WTYGBKJTSA-N
XLogP5.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide
CID 164898987
N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide
CID 20870717
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
2,3-diamino-N-benzylbutanamide
CID 143155055
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
tert-butyl (2S,3R)-2-[(E)-1-(benzylamino)-1-oxo-4-phenylbut-3-en-2-yl]-3-(hydrazinecarbonyl)-5-methylhexanoate
CID 70204291
2-[(3-methyl-2-phenylsulfanylbutanoyl)amino]acetic acid
CID 82042816
[1-(benzylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylpropanoate
CID 55357258

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide?
The IUPAC name of (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide (CID 164898997) is (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide.
What is the SMILES notation for (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide?
The canonical SMILES for (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide is C[C@@H](/C=C/c1ccccc1)[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide?
The InChIKey is BOZFTIIVFIXZCY-WTYGBKJTSA-N. The full InChI is InChI=1S/C25H25NOS/c1-20(17-18-21-11-5-2-6-12-21)24(28-23-15-9-4-10-16-23)25(27)26-19-22-13-7-3-8-14-22/h2-18,20,24H,19H2,1H3,(H,26,27)/b18-17+/t20-,24+/m0/s1.
What are the key properties of (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide?
(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide has a molecular weight of 387.55 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide is sourced from PubChem (CID 164898997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).