4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide

C19H25N3O4S — CID 109060325

IUPAC4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)c1
InChIInChI=1S/C19H25N3O4S/c1-22(2)13-5-12-20-27(24,25)18-10-8-15(9-11-18)19(23)21-16-6-4-7-17(14-16)26-3/h4,6-11,14,20H,5,12-13H2,1-3H3,(H,21,23)
InChIKeyILTQRGLUMPDYLK-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.18
Rot. Bonds9

About 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide

4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 109060325) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
PubChem CID109060325
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)c1
InChIInChI=1S/C19H25N3O4S/c1-22(2)13-5-12-20-27(24,25)18-10-8-15(9-11-18)19(23)21-16-6-4-7-17(14-16)26-3/h4,6-11,14,20H,5,12-13H2,1-3H3,(H,21,23)
InChIKeyILTQRGLUMPDYLK-UHFFFAOYSA-N
XLogP2.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
CID 109060317
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide (CID 109060325) is 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)c1.
What is the InChIKey of 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is ILTQRGLUMPDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-22(2)13-5-12-20-27(24,25)18-10-8-15(9-11-18)19(23)21-16-6-4-7-17(14-16)26-3/h4,6-11,14,20H,5,12-13H2,1-3H3,(H,21,23).
What are the key properties of 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide?
4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 391.49 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 109060325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).