(2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide

C23H23NO2S — CID 10762164

IUPAC(2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide
SMILESO=C(NCc1ccccc1)[C@H](CSc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H23NO2S/c25-22(19-12-6-2-7-13-19)21(17-27-20-14-8-3-9-15-20)23(26)24-16-18-10-4-1-5-11-18/h1-15,21-22,25H,16-17H2,(H,24,26)/t21-,22+/m1/s1
InChIKeyYTFYTDXWRWGNHP-YADHBBJMSA-N
MW377.51 g/mol
LogP4.44
Rot. Bonds8

About (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide

(2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide (PubChem CID 10762164) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide
PubChem CID10762164
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name(2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide
SMILESO=C(NCc1ccccc1)[C@H](CSc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H23NO2S/c25-22(19-12-6-2-7-13-19)21(17-27-20-14-8-3-9-15-20)23(26)24-16-18-10-4-1-5-11-18/h1-15,21-22,25H,16-17H2,(H,24,26)/t21-,22+/m1/s1
InChIKeyYTFYTDXWRWGNHP-YADHBBJMSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide 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

N-(2-(2-(hydroxymethyl)phenylthio)benzyl)-2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)acetamide
CID 45484893
(3S)-N-ethyl-3-hydroxy-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 137639123
(3R)-N-ethyl-3-hydroxy-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 137660680
(2R,3S)-3-benzyl-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-(4-methylphenyl)sulfinylbutanamide
CID 134917517
N-[2-hydroxy-2-(thiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 71782444
N-({5-[(R)-hydroxyphenylmethyl]-2-thienyl}methyl)(p-fluorophenyl)acetamide
CID 99882769
N-benzyl-3-hydroxy-3,3-diphenylpropanamide
CID 10980465
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)-N,N-di(propan-2-yl)propanamide
CID 101089528
(2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide
CID 101443576
(2R)-N-benzyl-2-[(R)-hydroxy(phenyl)methyl]-5-phenylpentanamide
CID 101508710
N,N-dibenzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917561
N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917693

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
The IUPAC name of (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide (CID 10762164) is (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide.
What is the SMILES notation for (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
The canonical SMILES for (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide is O=C(NCc1ccccc1)[C@H](CSc1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
The InChIKey is YTFYTDXWRWGNHP-YADHBBJMSA-N. The full InChI is InChI=1S/C23H23NO2S/c25-22(19-12-6-2-7-13-19)21(17-27-20-14-8-3-9-15-20)23(26)24-16-18-10-4-1-5-11-18/h1-15,21-22,25H,16-17H2,(H,24,26)/t21-,22+/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
(2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide has a molecular weight of 377.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide is sourced from PubChem (CID 10762164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).