4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide

C22H28N2O2S — CID 2973766

IUPAC4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC(CCSC)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2S/c1-3-17-9-11-19(12-10-17)21(25)24-20(14-16-27-2)22(26)23-15-13-18-7-5-4-6-8-18/h4-12,20H,3,13-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPVODUICRSCLDIM-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.46
Rot. Bonds10

About 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide

4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide (PubChem CID 2973766) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
PubChem CID2973766
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC(CCSC)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2S/c1-3-17-9-11-19(12-10-17)21(25)24-20(14-16-27-2)22(26)23-15-13-18-7-5-4-6-8-18/h4-12,20H,3,13-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPVODUICRSCLDIM-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide with MolForge

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Related Compounds

N-[1-(3-aminobutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 119496086
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7872328
N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 7971393
N-[1-[(2-amino-2-ethylbutyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119640798
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 9391406
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282515
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282517
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride
CID 158413388

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide (CID 2973766) is 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide is CCc1ccc(C(=O)NC(CCSC)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The InChIKey is PVODUICRSCLDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-3-17-9-11-19(12-10-17)21(25)24-20(14-16-27-2)22(26)23-15-13-18-7-5-4-6-8-18/h4-12,20H,3,13-16H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide has a molecular weight of 384.55 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 2973766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).