2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide

C25H26N2O2S — CID 132947663

IUPAC2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-26-25(29)23(17-20-11-5-2-6-12-20)27(18-21-13-7-3-8-14-21)24(28)19-30-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3,(H,26,29)
InChIKeyKOZOMNNGQSWFEJ-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.16
Rot. Bonds9

About 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide

2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide (PubChem CID 132947663) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide
PubChem CID132947663
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CSc1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-26-25(29)23(17-20-11-5-2-6-12-20)27(18-21-13-7-3-8-14-21)24(28)19-30-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3,(H,26,29)
InChIKeyKOZOMNNGQSWFEJ-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 132612809
(2S)-2-[(3-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700642
2-[(4-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-3-phenyl-N-propylpropanamide
CID 132614152
(2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(3-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100674314
(2R)-2-[(3-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700604
(2R)-2-[(4-chlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 100709130
(2S)-N-methyl-2-[(4-methylphenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanamide
CID 100683038
(2R)-2-[(3-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745912
N-benzyl-4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 100664643
(2R)-2-[(4-bromophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 100523683
2-[(3-bromophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132620764
(2R)-2-[benzyl(3-benzylsulfanylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 100663164

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide (CID 132947663) is 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide?
The InChIKey is KOZOMNNGQSWFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-26-25(29)23(17-20-11-5-2-6-12-20)27(18-21-13-7-3-8-14-21)24(28)19-30-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3,(H,26,29).
What are the key properties of 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide?
2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide has a molecular weight of 418.56 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 132947663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).