2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide

C19H22N2O3S — CID 7893750

IUPAC2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCSc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-4-6-15(7-5-14)20-18(22)12-21(2)19(23)13-24-16-8-10-17(25-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeySIOVSGMGKQFIMK-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.19
Rot. Bonds7

About 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 7893750) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID7893750
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCSc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-4-6-15(7-5-14)20-18(22)12-21(2)19(23)13-24-16-8-10-17(25-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeySIOVSGMGKQFIMK-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
CID 30860081
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
CID 7467659
2-[methyl-[2-(2-phenoxyethoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 55702661
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9417469
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide (CID 7893750) is 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide is CSc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is SIOVSGMGKQFIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-4-6-15(7-5-14)20-18(22)12-21(2)19(23)13-24-16-8-10-17(25-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7893750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).