N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide

C23H25NO4S — CID 7315351

IUPACN-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide
SMILESCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H25NO4S/c1-14-11-15(2)23(16(3)12-14)29(26,27)24(17(4)25)18-9-10-22-20(13-18)19-7-5-6-8-21(19)28-22/h9-13H,5-8H2,1-4H3
InChIKeyHXGHAJJAKDSRBD-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.98
Rot. Bonds3

About N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide

N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide (PubChem CID 7315351) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide
PubChem CID7315351
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide
SMILESCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H25NO4S/c1-14-11-15(2)23(16(3)12-14)29(26,27)24(17(4)25)18-9-10-22-20(13-18)19-7-5-6-8-21(19)28-22/h9-13H,5-8H2,1-4H3
InChIKeyHXGHAJJAKDSRBD-UHFFFAOYSA-N
XLogP4.98
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide?
The IUPAC name of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide (CID 7315351) is N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide?
The canonical SMILES for N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide is CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide?
The InChIKey is HXGHAJJAKDSRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-14-11-15(2)23(16(3)12-14)29(26,27)24(17(4)25)18-9-10-22-20(13-18)19-7-5-6-8-21(19)28-22/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide?
N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide has a molecular weight of 411.52 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide is sourced from PubChem (CID 7315351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).