N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide

C25H34N2O2S — CID 132710653

IUPACN-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(SCCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C25H34N2O2S/c1-19-11-13-22(14-12-19)30-18-16-23(28)27(17-15-21-9-7-6-8-10-21)20(2)24(29)26-25(3,4)5/h6-14,20H,15-18H2,1-5H3,(H,26,29)
InChIKeyZUDVJUFITVZOBA-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.85
Rot. Bonds9

About N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide

N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide (PubChem CID 132710653) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide
PubChem CID132710653
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC NameN-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(SCCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C25H34N2O2S/c1-19-11-13-22(14-12-19)30-18-16-23(28)27(17-15-21-9-7-6-8-10-21)20(2)24(29)26-25(3,4)5/h6-14,20H,15-18H2,1-5H3,(H,26,29)
InChIKeyZUDVJUFITVZOBA-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132710578
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132718702
(2S)-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
CID 100530047
N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide
CID 132664273
2-[benzyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-methylpropanamide
CID 132655657
(2S)-2-[benzyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-methylpropanamide
CID 100561658
(2S)-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100627070
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
CID 132725554
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
(2R)-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100529840
(2S)-2-[benzyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100516374
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide (CID 132710653) is N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide is Cc1ccc(SCCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide?
The InChIKey is ZUDVJUFITVZOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-19-11-13-22(14-12-19)30-18-16-23(28)27(17-15-21-9-7-6-8-10-21)20(2)24(29)26-25(3,4)5/h6-14,20H,15-18H2,1-5H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide?
N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide has a molecular weight of 426.63 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132710653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).