2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

C24H26N2OS — CID 16931574

IUPAC2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C24H26N2OS/c27-24(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)25-17-23(22-12-15-28-18-22)26-13-4-5-14-26/h1-3,6-12,15,18,23H,4-5,13-14,16-17H2,(H,25,27)
InChIKeyJVQUOXVXFXGCIF-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.91
Rot. Bonds7

About 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 16931574) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID16931574
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C24H26N2OS/c27-24(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)25-17-23(22-12-15-28-18-22)26-13-4-5-14-26/h1-3,6-12,15,18,23H,4-5,13-14,16-17H2,(H,25,27)
InChIKeyJVQUOXVXFXGCIF-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (CID 16931574) is 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCC(c1ccsc1)N1CCCC1.
What is the InChIKey of 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is JVQUOXVXFXGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c27-24(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)25-17-23(22-12-15-28-18-22)26-13-4-5-14-26/h1-3,6-12,15,18,23H,4-5,13-14,16-17H2,(H,25,27).
What are the key properties of 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 390.55 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 16931574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).