N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide

C22H24N2O5S — CID 3244424

IUPACN-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)c1C
InChIInChI=1S/C22H24N2O5S/c1-14-5-4-6-19(15(14)2)23-22(25)21-16(3)18-13-17(7-8-20(18)29-21)30(26,27)24-9-11-28-12-10-24/h4-8,13H,9-12H2,1-3H3,(H,23,25)
InChIKeyIVAPURSBEFYBCS-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.63
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide

N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide (PubChem CID 3244424) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
PubChem CID3244424
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)c1C
InChIInChI=1S/C22H24N2O5S/c1-14-5-4-6-19(15(14)2)23-22(25)21-16(3)18-13-17(7-8-20(18)29-21)30(26,27)24-9-11-28-12-10-24/h4-8,13H,9-12H2,1-3H3,(H,23,25)
InChIKeyIVAPURSBEFYBCS-UHFFFAOYSA-N
XLogP3.63
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide (CID 3244424) is N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is IVAPURSBEFYBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-14-5-4-6-19(15(14)2)23-22(25)21-16(3)18-13-17(7-8-20(18)29-21)30(26,27)24-9-11-28-12-10-24/h4-8,13H,9-12H2,1-3H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide?
N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3244424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).