3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide

C16H19NO4S — CID 27770210

IUPAC3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C16H19NO4S/c1-19-13-9-11(10-14(20-2)15(13)21-3)16(18)17-7-6-12-5-4-8-22-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeySKGBFUKYQVAIFX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.75
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide

3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 27770210) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID27770210
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C16H19NO4S/c1-19-13-9-11(10-14(20-2)15(13)21-3)16(18)17-7-6-12-5-4-8-22-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeySKGBFUKYQVAIFX-UHFFFAOYSA-N
XLogP2.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.75
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-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 27770210) is 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide is COc1cc(C(=O)NCCc2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is SKGBFUKYQVAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-19-13-9-11(10-14(20-2)15(13)21-3)16(18)17-7-6-12-5-4-8-22-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
3,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 2.75, 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-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 27770210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).