2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C22H28N2O3S — CID 2574524

IUPAC2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H28N2O3S/c1-15(2)17-11-10-16(3)12-19(17)27-14-22(26)24(4)13-21(25)23-18-8-6-7-9-20(18)28-5/h6-12,15H,13-14H2,1-5H3,(H,23,25)
InChIKeyNFWFPAXAXCVNKN-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.32
Rot. Bonds8

About 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2574524) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2574524
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H28N2O3S/c1-15(2)17-11-10-16(3)12-19(17)27-14-22(26)24(4)13-21(25)23-18-8-6-7-9-20(18)28-5/h6-12,15H,13-14H2,1-5H3,(H,23,25)
InChIKeyNFWFPAXAXCVNKN-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide
CID 55637611
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780054
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 8699567
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503646
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
N-methyl-4-(3-methylphenoxy)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]butanamide
CID 40689264
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 2574524) is 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)C(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is NFWFPAXAXCVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15(2)17-11-10-16(3)12-19(17)27-14-22(26)24(4)13-21(25)23-18-8-6-7-9-20(18)28-5/h6-12,15H,13-14H2,1-5H3,(H,23,25).
What are the key properties of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 400.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2574524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).