4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

C20H33N3O6S — CID 2998789

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C20H33N3O6S/c1-27-14-12-23(13-15-28-2)30(25,26)19-6-4-18(5-7-19)20(24)21-8-3-9-22-10-16-29-17-11-22/h4-7H,3,8-17H2,1-2H3,(H,21,24)
InChIKeyPPRMCNFIOTZEDC-UHFFFAOYSA-N
MW443.57 g/mol
LogP0.42
Rot. Bonds13

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2998789) has the molecular formula C20H33N3O6S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2998789
Molecular FormulaC20H33N3O6S
Molecular Weight443.57 g/mol
Exact Mass443.21
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C20H33N3O6S/c1-27-14-12-23(13-15-28-2)30(25,26)19-6-4-18(5-7-19)20(24)21-8-3-9-22-10-16-29-17-11-22/h4-7H,3,8-17H2,1-2H3,(H,21,24)
InChIKeyPPRMCNFIOTZEDC-UHFFFAOYSA-N
XLogP0.42
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 2998789) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is PPRMCNFIOTZEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O6S/c1-27-14-12-23(13-15-28-2)30(25,26)19-6-4-18(5-7-19)20(24)21-8-3-9-22-10-16-29-17-11-22/h4-7H,3,8-17H2,1-2H3,(H,21,24).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 0.42, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2998789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).