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

C17H21NO4S — CID 5105825

IUPAC3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)Cc2cccs2)cc(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-11(8-13-6-5-7-23-13)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-7,9-11H,8H2,1-4H3,(H,18,19)
InChIKeySOPPGXIIHUGUSV-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.13
Rot. Bonds7

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

3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 5105825) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID5105825
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)Cc2cccs2)cc(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-11(8-13-6-5-7-23-13)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-7,9-11H,8H2,1-4H3,(H,18,19)
InChIKeySOPPGXIIHUGUSV-UHFFFAOYSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 5105825) is 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is COc1cc(C(=O)NC(C)Cc2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is SOPPGXIIHUGUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11(8-13-6-5-7-23-13)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-7,9-11H,8H2,1-4H3,(H,18,19).
What are the key properties of 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 5105825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).