N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide

C24H18ClNO5S — CID 6618120

IUPACN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide
SMILESCC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C24H18ClNO5S/c1-15(27)23-16(2)31-22-13-12-19(14-21(22)23)26(24(28)17-8-10-18(25)11-9-17)32(29,30)20-6-4-3-5-7-20/h3-14H,1-2H3
InChIKeyJYYHHWPBMGSDEF-UHFFFAOYSA-N
MW467.93 g/mol
LogP5.63
Rot. Bonds5

About N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide (PubChem CID 6618120) has the molecular formula C24H18ClNO5S and a molecular weight of 467.93 g/mol. Its IUPAC name is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide
PubChem CID6618120
Molecular FormulaC24H18ClNO5S
Molecular Weight467.93 g/mol
Exact Mass467.06
IUPAC NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide
SMILESCC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C24H18ClNO5S/c1-15(27)23-16(2)31-22-13-12-19(14-21(22)23)26(24(28)17-8-10-18(25)11-9-17)32(29,30)20-6-4-3-5-7-20/h3-14H,1-2H3
InChIKeyJYYHHWPBMGSDEF-UHFFFAOYSA-N
XLogP5.63
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.93
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide 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-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide?
The IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide (CID 6618120) is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide.
What is the SMILES notation for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide?
The canonical SMILES for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide is CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide?
The InChIKey is JYYHHWPBMGSDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO5S/c1-15(27)23-16(2)31-22-13-12-19(14-21(22)23)26(24(28)17-8-10-18(25)11-9-17)32(29,30)20-6-4-3-5-7-20/h3-14H,1-2H3.
What are the key properties of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide?
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide has a molecular weight of 467.93 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide is sourced from PubChem (CID 6618120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).