4-butoxy-N-(2-thiophen-2-ylethyl)benzamide

C17H21NO2S — CID 4920966

IUPAC4-butoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-12-20-15-8-6-14(7-9-15)17(19)18-11-10-16-5-4-13-21-16/h4-9,13H,2-3,10-12H2,1H3,(H,18,19)
InChIKeySEKCKZDQMMLESX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.90
Rot. Bonds8

About 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide

4-butoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 4920966) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID4920966
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-butoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-12-20-15-8-6-14(7-9-15)17(19)18-11-10-16-5-4-13-21-16/h4-9,13H,2-3,10-12H2,1H3,(H,18,19)
InChIKeySEKCKZDQMMLESX-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 4920966) is 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide is CCCCOc1ccc(C(=O)NCCc2cccs2)cc1.
What is the InChIKey of 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is SEKCKZDQMMLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-3-12-20-15-8-6-14(7-9-15)17(19)18-11-10-16-5-4-13-21-16/h4-9,13H,2-3,10-12H2,1H3,(H,18,19).
What are the key properties of 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide?
4-butoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 303.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 4920966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).