4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

C21H27N3O5S — CID 18288869

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-2-29-19-7-5-18(6-8-19)23-30(26,27)20-9-3-17(4-10-20)21(25)22-11-12-24-13-15-28-16-14-24/h3-10,23H,2,11-16H2,1H3,(H,22,25)
InChIKeyPLQMNRNZBCANCS-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.95
Rot. Bonds9

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 18288869) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID18288869
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-2-29-19-7-5-18(6-8-19)23-30(26,27)20-9-3-17(4-10-20)21(25)22-11-12-24-13-15-28-16-14-24/h3-10,23H,2,11-16H2,1H3,(H,22,25)
InChIKeyPLQMNRNZBCANCS-UHFFFAOYSA-N
XLogP1.95
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 18288869) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is PLQMNRNZBCANCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-2-29-19-7-5-18(6-8-19)23-30(26,27)20-9-3-17(4-10-20)21(25)22-11-12-24-13-15-28-16-14-24/h3-10,23H,2,11-16H2,1H3,(H,22,25).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 433.53 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 18288869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).