N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide

C24H24N2O2S — CID 126117121

IUPACN-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-17(19-11-5-3-6-12-19)25-24(28)21-15-9-10-16-22(21)26-23(27)18(2)29-20-13-7-4-8-14-20/h3-18H,1-2H3,(H,25,28)(H,26,27)/t17-,18-/m0/s1
InChIKeyGTUOMEMPDYFBMF-ROUUACIJSA-N
MW404.54 g/mol
LogP5.30
Rot. Bonds7

About N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide

N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide (PubChem CID 126117121) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
PubChem CID126117121
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-17(19-11-5-3-6-12-19)25-24(28)21-15-9-10-16-22(21)26-23(27)18(2)29-20-13-7-4-8-14-20/h3-18H,1-2H3,(H,25,28)(H,26,27)/t17-,18-/m0/s1
InChIKeyGTUOMEMPDYFBMF-ROUUACIJSA-N
XLogP5.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide 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

2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 92672042
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 34744685
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 100747177
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide (CID 126117121) is N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide is C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
The InChIKey is GTUOMEMPDYFBMF-ROUUACIJSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17(19-11-5-3-6-12-19)25-24(28)21-15-9-10-16-22(21)26-23(27)18(2)29-20-13-7-4-8-14-20/h3-18H,1-2H3,(H,25,28)(H,26,27)/t17-,18-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide has a molecular weight of 404.54 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 126117121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).