N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

C22H23NO4S — CID 1260133

IUPACN-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C22H23NO4S/c1-14-8-11-22(15(2)12-14)28(25,26)23(16(3)24)17-9-10-21-19(13-17)18-6-4-5-7-20(18)27-21/h8-13H,4-7H2,1-3H3
InChIKeyHRYXKBMSXLOLOF-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.67
Rot. Bonds3

About N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (PubChem CID 1260133) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
PubChem CID1260133
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C22H23NO4S/c1-14-8-11-22(15(2)12-14)28(25,26)23(16(3)24)17-9-10-21-19(13-17)18-6-4-5-7-20(18)27-21/h8-13H,4-7H2,1-3H3
InChIKeyHRYXKBMSXLOLOF-UHFFFAOYSA-N
XLogP4.67
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (CID 1260133) is N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The InChIKey is HRYXKBMSXLOLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-14-8-11-22(15(2)12-14)28(25,26)23(16(3)24)17-9-10-21-19(13-17)18-6-4-5-7-20(18)27-21/h8-13H,4-7H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is sourced from PubChem (CID 1260133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).