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

C21H26N2O3S — CID 25161918

IUPAC2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-23(13-20(24)22-18-7-5-6-8-19(18)26-3)21(25)15-27-14-17-11-9-16(2)10-12-17/h5-12H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyQPGFYPQNDVMSDX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.72
Rot. Bonds9

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

2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 25161918) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide
PubChem CID25161918
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-23(13-20(24)22-18-7-5-6-8-19(18)26-3)21(25)15-27-14-17-11-9-16(2)10-12-17/h5-12H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyQPGFYPQNDVMSDX-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide (CID 25161918) is 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)CSCc1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is QPGFYPQNDVMSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-23(13-20(24)22-18-7-5-6-8-19(18)26-3)21(25)15-27-14-17-11-9-16(2)10-12-17/h5-12H,4,13-15H2,1-3H3,(H,22,24).
What are the key properties of 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide?
2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 25161918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).