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

C20H24N2O2S — CID 9493396

IUPAC2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-4-8-17(9-5-15)13-25-14-20(24)22(3)12-19(23)21-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyFLWBMVJEJXSZGT-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.63
Rot. Bonds7

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

2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 9493396) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID9493396
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-4-8-17(9-5-15)13-25-14-20(24)22(3)12-19(23)21-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyFLWBMVJEJXSZGT-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (CID 9493396) is 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is FLWBMVJEJXSZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-4-8-17(9-5-15)13-25-14-20(24)22(3)12-19(23)21-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,21,23).
What are the key properties of 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9493396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).