N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C24H28N2O6S — CID 4832877

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N2O6S/c1-16(2)31-15-20-19-6-4-5-7-21(19)32-23(20)24(27)25-18-9-8-17(3)22(14-18)33(28,29)26-10-12-30-13-11-26/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyBKJWELWESFYQJQ-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.94
Rot. Bonds7

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 4832877) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
PubChem CID4832877
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N2O6S/c1-16(2)31-15-20-19-6-4-5-7-21(19)32-23(20)24(27)25-18-9-8-17(3)22(14-18)33(28,29)26-10-12-30-13-11-26/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyBKJWELWESFYQJQ-UHFFFAOYSA-N
XLogP3.94
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 4832877) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is BKJWELWESFYQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-16(2)31-15-20-19-6-4-5-7-21(19)32-23(20)24(27)25-18-9-8-17(3)22(14-18)33(28,29)26-10-12-30-13-11-26/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,27).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4832877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).