N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide

C20H21NO3S — CID 27677867

IUPACN-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C20H21NO3S/c1-21(11-14-8-9-25-13-14)20(22)12-23-15-6-7-19-17(10-15)16-4-2-3-5-18(16)24-19/h6-10,13H,2-5,11-12H2,1H3
InChIKeyLVLZPMFJAKXQJO-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.41
Rot. Bonds5

About N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 27677867) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID27677867
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C20H21NO3S/c1-21(11-14-8-9-25-13-14)20(22)12-23-15-6-7-19-17(10-15)16-4-2-3-5-18(16)24-19/h6-10,13H,2-5,11-12H2,1H3
InChIKeyLVLZPMFJAKXQJO-UHFFFAOYSA-N
XLogP4.41
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide (CID 27677867) is N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)COc1ccc2oc3c(c2c1)CCCC3.
What is the InChIKey of N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is LVLZPMFJAKXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-21(11-14-8-9-25-13-14)20(22)12-23-15-6-7-19-17(10-15)16-4-2-3-5-18(16)24-19/h6-10,13H,2-5,11-12H2,1H3.
What are the key properties of N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 27677867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).