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

C24H24N2O2S — CID 31493274

IUPACN-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-18(29-20-12-6-3-7-13-20)23(27)26-22-15-9-8-14-21(22)24(28)25-17-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyWXDYSSNJXOSIDA-SFHVURJKSA-N
MW404.54 g/mol
LogP4.78
Rot. Bonds8

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

N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide (PubChem CID 31493274) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
PubChem CID31493274
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-18(29-20-12-6-3-7-13-20)23(27)26-22-15-9-8-14-21(22)24(28)25-17-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyWXDYSSNJXOSIDA-SFHVURJKSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 34744685
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 38009756
N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 126117121
2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878
2-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 94018594
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2211958

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide (CID 31493274) is N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide is C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
The InChIKey is WXDYSSNJXOSIDA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-18(29-20-12-6-3-7-13-20)23(27)26-22-15-9-8-14-21(22)24(28)25-17-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1.
What are the key properties of N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide?
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide has a molecular weight of 404.54 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 31493274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).