N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide

C17H22N2O2S — CID 4876247

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-21-14-9-7-13(8-10-14)17(20)18-12-15(19(2)3)16-6-5-11-22-16/h5-11,15H,4,12H2,1-3H3,(H,18,20)
InChIKeyCYALLXGDCLYXEE-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide (PubChem CID 4876247) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
PubChem CID4876247
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-21-14-9-7-13(8-10-14)17(20)18-12-15(19(2)3)16-6-5-11-22-16/h5-11,15H,4,12H2,1-3H3,(H,18,20)
InChIKeyCYALLXGDCLYXEE-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide (CID 4876247) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
The InChIKey is CYALLXGDCLYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-21-14-9-7-13(8-10-14)17(20)18-12-15(19(2)3)16-6-5-11-22-16/h5-11,15H,4,12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide has a molecular weight of 318.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxybenzamide is sourced from PubChem (CID 4876247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).