4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide

C15H17NO2S — CID 2493276

IUPAC4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-11(2)18-13-7-5-12(6-8-13)15(17)16-10-14-4-3-9-19-14/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyPSZCYBPYMLGVRJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.47
Rot. Bonds5

About 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide

4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2493276) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2493276
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-11(2)18-13-7-5-12(6-8-13)15(17)16-10-14-4-3-9-19-14/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyPSZCYBPYMLGVRJ-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide (CID 2493276) is 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide is CC(C)Oc1ccc(C(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PSZCYBPYMLGVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(2)18-13-7-5-12(6-8-13)15(17)16-10-14-4-3-9-19-14/h3-9,11H,10H2,1-2H3,(H,16,17).
What are the key properties of 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide?
4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 275.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2493276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).