2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide

C19H24N2OS — CID 2467688

IUPAC2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCSc1ccc(CN(C)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2OS/c1-21(14-17-8-10-18(23-2)11-9-17)15-19(22)20-13-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyXHKFQFHCVVIGDW-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.20
Rot. Bonds8

About 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide

2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 2467688) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID2467688
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCSc1ccc(CN(C)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2OS/c1-21(14-17-8-10-18(23-2)11-9-17)15-19(22)20-13-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyXHKFQFHCVVIGDW-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide (CID 2467688) is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide is CSc1ccc(CN(C)CC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is XHKFQFHCVVIGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-21(14-17-8-10-18(23-2)11-9-17)15-19(22)20-13-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide?
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 328.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2467688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).