2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C22H21N3O3S — CID 8911528

IUPAC2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C22H21N3O3S/c26-22(24-21-9-10-23-25(21)13-16-4-3-11-29-16)14-27-15-7-8-20-18(12-15)17-5-1-2-6-19(17)28-20/h3-4,7-12H,1-2,5-6,13-14H2,(H,24,26)
InChIKeyZGKHMMYMEZIWAL-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.64
Rot. Bonds6

About 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 8911528) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID8911528
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C22H21N3O3S/c26-22(24-21-9-10-23-25(21)13-16-4-3-11-29-16)14-27-15-7-8-20-18(12-15)17-5-1-2-6-19(17)28-20/h3-4,7-12H,1-2,5-6,13-14H2,(H,24,26)
InChIKeyZGKHMMYMEZIWAL-UHFFFAOYSA-N
XLogP4.64
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8712821
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 9118752
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8501525
N'-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]pyridine-3-carbohydrazide
CID 35015838
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 56558264
N-(4-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7914664

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 8911528) is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is ZGKHMMYMEZIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-22(24-21-9-10-23-25(21)13-16-4-3-11-29-16)14-27-15-7-8-20-18(12-15)17-5-1-2-6-19(17)28-20/h3-4,7-12H,1-2,5-6,13-14H2,(H,24,26).
What are the key properties of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 407.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 8911528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).