3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C20H27NO4S — CID 4561772

IUPAC3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCCOc1cc(C(=O)NC(C)Cc2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C20H27NO4S/c1-5-23-17-12-15(13-18(24-6-2)19(17)25-7-3)20(22)21-14(4)11-16-9-8-10-26-16/h8-10,12-14H,5-7,11H2,1-4H3,(H,21,22)
InChIKeyLXPQLHPIPPSEML-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.31
Rot. Bonds10

About 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide

3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 4561772) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID4561772
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCCOc1cc(C(=O)NC(C)Cc2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C20H27NO4S/c1-5-23-17-12-15(13-18(24-6-2)19(17)25-7-3)20(22)21-14(4)11-16-9-8-10-26-16/h8-10,12-14H,5-7,11H2,1-4H3,(H,21,22)
InChIKeyLXPQLHPIPPSEML-UHFFFAOYSA-N
XLogP4.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 4561772) is 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CCOc1cc(C(=O)NC(C)Cc2cccs2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is LXPQLHPIPPSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-5-23-17-12-15(13-18(24-6-2)19(17)25-7-3)20(22)21-14(4)11-16-9-8-10-26-16/h8-10,12-14H,5-7,11H2,1-4H3,(H,21,22).
What are the key properties of 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 377.51 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 4561772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).