5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

C24H28N2O4S — CID 4255778

IUPAC5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc43)c(C)c2c1
InChIInChI=1S/C24H28N2O4S/c1-4-26(5-2)31(28,29)18-13-14-22-20(15-18)16(3)23(30-22)24(27)25-21-12-8-10-17-9-6-7-11-19(17)21/h6-7,9,11,13-15,21H,4-5,8,10,12H2,1-3H3,(H,25,27)
InChIKeyNXDIEEQCFQCJGG-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.58
Rot. Bonds6

About 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide (PubChem CID 4255778) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
PubChem CID4255778
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc43)c(C)c2c1
InChIInChI=1S/C24H28N2O4S/c1-4-26(5-2)31(28,29)18-13-14-22-20(15-18)16(3)23(30-22)24(27)25-21-12-8-10-17-9-6-7-11-19(17)21/h6-7,9,11,13-15,21H,4-5,8,10,12H2,1-3H3,(H,25,27)
InChIKeyNXDIEEQCFQCJGG-UHFFFAOYSA-N
XLogP4.58
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide (CID 4255778) is 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc43)c(C)c2c1.
What is the InChIKey of 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NXDIEEQCFQCJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-4-26(5-2)31(28,29)18-13-14-22-20(15-18)16(3)23(30-22)24(27)25-21-12-8-10-17-9-6-7-11-19(17)21/h6-7,9,11,13-15,21H,4-5,8,10,12H2,1-3H3,(H,25,27).
What are the key properties of 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4255778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).