3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide

C19H26N4O3S — CID 109064040

IUPAC3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O3S/c1-22(2)13-12-20-27(25,26)18-7-5-6-15(14-18)19(24)21-16-8-10-17(11-9-16)23(3)4/h5-11,14,20H,12-13H2,1-4H3,(H,21,24)
InChIKeyBVHMPXFSJDQPJM-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.84
Rot. Bonds8

About 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide

3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide (PubChem CID 109064040) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide
PubChem CID109064040
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O3S/c1-22(2)13-12-20-27(25,26)18-7-5-6-15(14-18)19(24)21-16-8-10-17(11-9-16)23(3)4/h5-11,14,20H,12-13H2,1-4H3,(H,21,24)
InChIKeyBVHMPXFSJDQPJM-UHFFFAOYSA-N
XLogP1.84
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109064025
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 109064018
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide (CID 109064040) is 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide is CN(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide?
The InChIKey is BVHMPXFSJDQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-22(2)13-12-20-27(25,26)18-7-5-6-15(14-18)19(24)21-16-8-10-17(11-9-16)23(3)4/h5-11,14,20H,12-13H2,1-4H3,(H,21,24).
What are the key properties of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide?
3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 109064040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).