4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

C25H25N3O4S — CID 55815738

IUPAC4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O4S/c1-15-12-19-20(13-25(2,3)14-21(19)32-15)27-24(29)16-8-10-17(11-9-16)26-23-18-6-4-5-7-22(18)33(30,31)28-23/h4-12,20H,13-14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyMTHXKAFEZFGOJA-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.59
Rot. Bonds3

About 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (PubChem CID 55815738) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
PubChem CID55815738
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O4S/c1-15-12-19-20(13-25(2,3)14-21(19)32-15)27-24(29)16-8-10-17(11-9-16)26-23-18-6-4-5-7-22(18)33(30,31)28-23/h4-12,20H,13-14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyMTHXKAFEZFGOJA-UHFFFAOYSA-N
XLogP4.59
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide 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 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (CID 55815738) is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The InChIKey is MTHXKAFEZFGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-15-12-19-20(13-25(2,3)14-21(19)32-15)27-24(29)16-8-10-17(11-9-16)26-23-18-6-4-5-7-22(18)33(30,31)28-23/h4-12,20H,13-14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide has a molecular weight of 463.56 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 55815738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).