N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide

C17H22N2O4S — CID 4577166

IUPACN-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CC3)c(C)c2c1
InChIInChI=1S/C17H22N2O4S/c1-4-19(5-2)24(21,22)13-8-9-15-14(10-13)11(3)16(23-15)17(20)18-12-6-7-12/h8-10,12H,4-7H2,1-3H3,(H,18,20)
InChIKeyOCPQABBHVLAMOM-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.66
Rot. Bonds6

About N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide

N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4577166) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4577166
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CC3)c(C)c2c1
InChIInChI=1S/C17H22N2O4S/c1-4-19(5-2)24(21,22)13-8-9-15-14(10-13)11(3)16(23-15)17(20)18-12-6-7-12/h8-10,12H,4-7H2,1-3H3,(H,18,20)
InChIKeyOCPQABBHVLAMOM-UHFFFAOYSA-N
XLogP2.66
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4577166) is N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CC3)c(C)c2c1.
What is the InChIKey of N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OCPQABBHVLAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-19(5-2)24(21,22)13-8-9-15-14(10-13)11(3)16(23-15)17(20)18-12-6-7-12/h8-10,12H,4-7H2,1-3H3,(H,18,20).
What are the key properties of N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide?
N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4577166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).