5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

C20H29N3O5S — CID 4255779

IUPAC5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCN3CCOCC3)c(C)c2c1
InChIInChI=1S/C20H29N3O5S/c1-4-23(5-2)29(25,26)16-6-7-18-17(14-16)15(3)19(28-18)20(24)21-8-9-22-10-12-27-13-11-22/h6-7,14H,4-5,8-13H2,1-3H3,(H,21,24)
InChIKeyHPINZGDCZSXWAX-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.83
Rot. Bonds8

About 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 4255779) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID4255779
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCN3CCOCC3)c(C)c2c1
InChIInChI=1S/C20H29N3O5S/c1-4-23(5-2)29(25,26)16-6-7-18-17(14-16)15(3)19(28-18)20(24)21-8-9-22-10-12-27-13-11-22/h6-7,14H,4-5,8-13H2,1-3H3,(H,21,24)
InChIKeyHPINZGDCZSXWAX-UHFFFAOYSA-N
XLogP1.83
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 4255779) is 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCN3CCOCC3)c(C)c2c1.
What is the InChIKey of 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HPINZGDCZSXWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-4-23(5-2)29(25,26)16-6-7-18-17(14-16)15(3)19(28-18)20(24)21-8-9-22-10-12-27-13-11-22/h6-7,14H,4-5,8-13H2,1-3H3,(H,21,24).
What are the key properties of 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4255779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).