4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

C19H25N3O6S — CID 55821677

IUPAC4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O6S/c1-14-3-8-18(28-14)17(22-9-11-27-12-10-22)13-20-19(23)15-4-6-16(7-5-15)29(24,25)21-26-2/h3-8,17,21H,9-13H2,1-2H3,(H,20,23)
InChIKeySYEZWCCOXRBSOC-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.23
Rot. Bonds8

About 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 55821677) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID55821677
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O6S/c1-14-3-8-18(28-14)17(22-9-11-27-12-10-22)13-20-19(23)15-4-6-16(7-5-15)29(24,25)21-26-2/h3-8,17,21H,9-13H2,1-2H3,(H,20,23)
InChIKeySYEZWCCOXRBSOC-UHFFFAOYSA-N
XLogP1.23
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 55821677) is 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is CONS(=O)(=O)c1ccc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc1.
What is the InChIKey of 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is SYEZWCCOXRBSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-14-3-8-18(28-14)17(22-9-11-27-12-10-22)13-20-19(23)15-4-6-16(7-5-15)29(24,25)21-26-2/h3-8,17,21H,9-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 55821677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).