N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide

C23H23NO2S — CID 134917693

IUPACN-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
SMILESO=C(NCc1ccccc1)C(Sc1ccccc1)C(O)Cc1ccccc1
InChIInChI=1S/C23H23NO2S/c25-21(16-18-10-4-1-5-11-18)22(27-20-14-8-3-9-15-20)23(26)24-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,24,26)
InChIKeyFUDXARBRWDCBAU-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.07
Rot. Bonds8

About N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide

N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide (PubChem CID 134917693) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
PubChem CID134917693
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
SMILESO=C(NCc1ccccc1)C(Sc1ccccc1)C(O)Cc1ccccc1
InChIInChI=1S/C23H23NO2S/c25-21(16-18-10-4-1-5-11-18)22(27-20-14-8-3-9-15-20)23(26)24-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,24,26)
InChIKeyFUDXARBRWDCBAU-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylthio)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765276
S-phenyl (2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanethioate
CID 11057921
N-[(2S,3R)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 68663119
N-[(2S,3S)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 68663120
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-phenylethylamino)butan-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 69054765
N-[4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 77535377
(2R)-N-benzyl-2-[(R)-hydroxy(phenyl)methyl]-5-phenylpentanamide
CID 101508710
N,N-dibenzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917561
3-Hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917603
(4S)-N-benzyl-4-hydroxy-7-thiophen-2-ylheptanamide
CID 134962447
(2R,3R)-N,2-dibenzyl-3-hydroxy-3-phenylpropanamide
CID 166438702
(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide
CID 166439077

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
The IUPAC name of N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide (CID 134917693) is N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide.
What is the SMILES notation for N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
The canonical SMILES for N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide is O=C(NCc1ccccc1)C(Sc1ccccc1)C(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
The InChIKey is FUDXARBRWDCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c25-21(16-18-10-4-1-5-11-18)22(27-20-14-8-3-9-15-20)23(26)24-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,24,26).
What are the key properties of N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide has a molecular weight of 377.51 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide is sourced from PubChem (CID 134917693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).