2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

C20H19NO2S — CID 67510566

IUPAC2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-16-9-11-18(12-10-16)23-15-20(22)21(14-19-8-5-13-24-19)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyFDGNGAXJLAMXIJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.67
Rot. Bonds6

About 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide

2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67510566) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67510566
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-16-9-11-18(12-10-16)23-15-20(22)21(14-19-8-5-13-24-19)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyFDGNGAXJLAMXIJ-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide (CID 67510566) is 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FDGNGAXJLAMXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-16-9-11-18(12-10-16)23-15-20(22)21(14-19-8-5-13-24-19)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 337.44 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-phenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67510566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).