4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide

C19H25N3O3S — CID 109058890

IUPAC4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)13-20-19(23)15-5-11-18(12-6-15)26(24,25)21-16-7-9-17(10-8-16)22(3)4/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyPDQRTBWRVNOXCK-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.94
Rot. Bonds7

About 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide

4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide (PubChem CID 109058890) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
PubChem CID109058890
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)13-20-19(23)15-5-11-18(12-6-15)26(24,25)21-16-7-9-17(10-8-16)22(3)4/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyPDQRTBWRVNOXCK-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
CID 108574896
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42748003
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide (CID 109058890) is 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide?
The InChIKey is PDQRTBWRVNOXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)13-20-19(23)15-5-11-18(12-6-15)26(24,25)21-16-7-9-17(10-8-16)22(3)4/h5-12,14,21H,13H2,1-4H3,(H,20,23).
What are the key properties of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide?
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 109058890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).