4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C20H26N2O3S — CID 24818032

IUPAC4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2cccs2)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-5-12-25-17-10-8-16(9-11-17)20(24)22(4-2)15-19(23)21-14-18-7-6-13-26-18/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,21,23)
InChIKeyNSPDCQMWGWFKKZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.71
Rot. Bonds10

About 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 24818032) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID24818032
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2cccs2)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-5-12-25-17-10-8-16(9-11-17)20(24)22(4-2)15-19(23)21-14-18-7-6-13-26-18/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,21,23)
InChIKeyNSPDCQMWGWFKKZ-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 24818032) is 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is NSPDCQMWGWFKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-5-12-25-17-10-8-16(9-11-17)20(24)22(4-2)15-19(23)21-14-18-7-6-13-26-18/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,21,23).
What are the key properties of 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 24818032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).