2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide

C23H25N3O4S — CID 4967425

IUPAC2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C23H25N3O4S/c1-30-21-13-12-20(14-22(21)31(24,28)29)25-23(27)17-26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3,(H,25,27)(H2,24,28,29)
InChIKeyACDWCGHQVNGKOM-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.98
Rot. Bonds9

About 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide

2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide (PubChem CID 4967425) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
PubChem CID4967425
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C23H25N3O4S/c1-30-21-13-12-20(14-22(21)31(24,28)29)25-23(27)17-26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3,(H,25,27)(H2,24,28,29)
InChIKeyACDWCGHQVNGKOM-UHFFFAOYSA-N
XLogP2.98
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide (CID 4967425) is 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
The InChIKey is ACDWCGHQVNGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-30-21-13-12-20(14-22(21)31(24,28)29)25-23(27)17-26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3,(H,25,27)(H2,24,28,29).
What are the key properties of 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide?
2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4967425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).