2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide

C21H22N2OS — CID 8718330

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1cccs1
InChIInChI=1S/C21H22N2OS/c1-2-23(15-18-11-8-14-25-18)16-21(24)22-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,22,24)
InChIKeyXCJROQUZHCHJCF-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.88
Rot. Bonds7

About 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide

2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide (PubChem CID 8718330) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
PubChem CID8718330
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1cccs1
InChIInChI=1S/C21H22N2OS/c1-2-23(15-18-11-8-14-25-18)16-21(24)22-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,22,24)
InChIKeyXCJROQUZHCHJCF-UHFFFAOYSA-N
XLogP4.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide (CID 8718330) is 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide is CCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1cccs1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
The InChIKey is XCJROQUZHCHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-2-23(15-18-11-8-14-25-18)16-21(24)22-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,22,24).
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide has a molecular weight of 350.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 8718330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).