N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide

C17H25N3O4S — CID 91950591

IUPACN-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
SMILESCNS(=O)(=O)c1ccc2oc(C(=O)NC(C)CCCN(C)C)cc2c1
InChIInChI=1S/C17H25N3O4S/c1-12(6-5-9-20(3)4)19-17(21)16-11-13-10-14(25(22,23)18-2)7-8-15(13)24-16/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyHQGVZKOGTJJLAN-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.80
Rot. Bonds8

About N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide

N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide (PubChem CID 91950591) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
PubChem CID91950591
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
SMILESCNS(=O)(=O)c1ccc2oc(C(=O)NC(C)CCCN(C)C)cc2c1
InChIInChI=1S/C17H25N3O4S/c1-12(6-5-9-20(3)4)19-17(21)16-11-13-10-14(25(22,23)18-2)7-8-15(13)24-16/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyHQGVZKOGTJJLAN-UHFFFAOYSA-N
XLogP1.80
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide 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-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide (CID 91950591) is N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide is CNS(=O)(=O)c1ccc2oc(C(=O)NC(C)CCCN(C)C)cc2c1.
What is the InChIKey of N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
The InChIKey is HQGVZKOGTJJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12(6-5-9-20(3)4)19-17(21)16-11-13-10-14(25(22,23)18-2)7-8-15(13)24-16/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,21).
What are the key properties of N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91950591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).