4-propoxy-N-(thiophen-2-ylmethyl)benzamide

C15H17NO2S — CID 4938538

IUPAC4-propoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-9-18-13-7-5-12(6-8-13)15(17)16-11-14-4-3-10-19-14/h3-8,10H,2,9,11H2,1H3,(H,16,17)
InChIKeyCEEBQNGOFPRFBZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.47
Rot. Bonds6

About 4-propoxy-N-(thiophen-2-ylmethyl)benzamide

4-propoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 4938538) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-propoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-propoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID4938538
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-propoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-9-18-13-7-5-12(6-8-13)15(17)16-11-14-4-3-10-19-14/h3-8,10H,2,9,11H2,1H3,(H,16,17)
InChIKeyCEEBQNGOFPRFBZ-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
4-pent-1-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 73067043
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
N-butyl-4-propoxybenzamide
CID 17142951
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-propoxy-N-(thiophen-2-ylmethyl)benzamide (CID 4938538) is 4-propoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-propoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-propoxy-N-(thiophen-2-ylmethyl)benzamide is CCCOc1ccc(C(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-propoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CEEBQNGOFPRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-9-18-13-7-5-12(6-8-13)15(17)16-11-14-4-3-10-19-14/h3-8,10H,2,9,11H2,1H3,(H,16,17).
What are the key properties of 4-propoxy-N-(thiophen-2-ylmethyl)benzamide?
4-propoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 275.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 4938538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).