2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

C26H23NOS — CID 44563525

IUPAC2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(NCCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1cccs1
InChIInChI=1S/C26H23NOS/c28-25(27-19-18-21-11-4-1-5-12-21)26(24-17-10-20-29-24,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-17,20H,18-19H2,(H,27,28)
InChIKeyKCMZYVHLVCOYGH-UHFFFAOYSA-N
MW397.54 g/mol
LogP5.44
Rot. Bonds7

About 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 44563525) has the molecular formula C26H23NOS and a molecular weight of 397.54 g/mol. Its IUPAC name is 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID44563525
Molecular FormulaC26H23NOS
Molecular Weight397.54 g/mol
Exact Mass397.15
IUPAC Name2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(NCCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1cccs1
InChIInChI=1S/C26H23NOS/c28-25(27-19-18-21-11-4-1-5-12-21)26(24-17-10-20-29-24,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-17,20H,18-19H2,(H,27,28)
InChIKeyKCMZYVHLVCOYGH-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CID 44563525) is 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is O=C(NCCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1cccs1.
What is the InChIKey of 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is KCMZYVHLVCOYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NOS/c28-25(27-19-18-21-11-4-1-5-12-21)26(24-17-10-20-29-24,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-17,20H,18-19H2,(H,27,28).
What are the key properties of 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 397.54 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 44563525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).