2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C23H30N4O3S — CID 38211944

IUPAC2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H30N4O3S/c1-15-10-16(2)23(17(3)11-15)26-20(28)12-24-21(29)13-27(4)14-22(30)25-18-8-6-7-9-19(18)31-5/h6-11H,12-14H2,1-5H3,(H,24,29)(H,25,30)(H,26,28)
InChIKeyMPKWRLFQYYFULP-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.96
Rot. Bonds9

About 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 38211944) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID38211944
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H30N4O3S/c1-15-10-16(2)23(17(3)11-15)26-20(28)12-24-21(29)13-27(4)14-22(30)25-18-8-6-7-9-19(18)31-5/h6-11H,12-14H2,1-5H3,(H,24,29)(H,25,30)(H,26,28)
InChIKeyMPKWRLFQYYFULP-UHFFFAOYSA-N
XLogP2.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 78676271
2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9104815
methyl 2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]benzoate
CID 9339387
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8622710
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 40714282
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339279
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 38211944) is 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MPKWRLFQYYFULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-15-10-16(2)23(17(3)11-15)26-20(28)12-24-21(29)13-27(4)14-22(30)25-18-8-6-7-9-19(18)31-5/h6-11H,12-14H2,1-5H3,(H,24,29)(H,25,30)(H,26,28).
What are the key properties of 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 442.59 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 38211944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).