3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide

C19H25N3O3S — CID 109065116

IUPAC3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H25N3O3S/c1-5-22(6-2)19(23)15-8-7-9-18(14-15)26(24,25)20-16-10-12-17(13-11-16)21(3)4/h7-14,20H,5-6H2,1-4H3
InChIKeyGPRUUIAHPKPOBI-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.04
Rot. Bonds7

About 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide

3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide (PubChem CID 109065116) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
PubChem CID109065116
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H25N3O3S/c1-5-22(6-2)19(23)15-8-7-9-18(14-15)26(24,25)20-16-10-12-17(13-11-16)21(3)4/h7-14,20H,5-6H2,1-4H3
InChIKeyGPRUUIAHPKPOBI-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide 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

3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555353
3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 67665242
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-[4-(dimethylamino)phenyl]pyrene-2-sulfonamide
CID 100936136

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide (CID 109065116) is 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide?
The InChIKey is GPRUUIAHPKPOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-5-22(6-2)19(23)15-8-7-9-18(14-15)26(24,25)20-16-10-12-17(13-11-16)21(3)4/h7-14,20H,5-6H2,1-4H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide?
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide is sourced from PubChem (CID 109065116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).