N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide

C22H26N2OS — CID 55660317

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc2ccccc2c1)c1ccsc1
InChIInChI=1S/C22H26N2OS/c1-3-24(4-2)21(20-11-12-26-16-20)15-23-22(25)14-17-9-10-18-7-5-6-8-19(18)13-17/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,23,25)
InChIKeyHUYBZCCIMBEDFS-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.64
Rot. Bonds8

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide (PubChem CID 55660317) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
PubChem CID55660317
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc2ccccc2c1)c1ccsc1
InChIInChI=1S/C22H26N2OS/c1-3-24(4-2)21(20-11-12-26-16-20)15-23-22(25)14-17-9-10-18-7-5-6-8-19(18)13-17/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,23,25)
InChIKeyHUYBZCCIMBEDFS-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide (CID 55660317) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide is CCN(CC)C(CNC(=O)Cc1ccc2ccccc2c1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide?
The InChIKey is HUYBZCCIMBEDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-3-24(4-2)21(20-11-12-26-16-20)15-23-22(25)14-17-9-10-18-7-5-6-8-19(18)13-17/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide has a molecular weight of 366.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 55660317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).