N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide

C20H27N3O3S — CID 109060255

IUPACN-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)NCCCN(C)C)cc2)c1
InChIInChI=1S/C20H27N3O3S/c1-15-6-7-16(2)19(14-15)22-27(25,26)18-10-8-17(9-11-18)20(24)21-12-5-13-23(3)4/h6-11,14,22H,5,12-13H2,1-4H3,(H,21,24)
InChIKeyGVNFTIURNLLCBQ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.79
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide

N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 109060255) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
PubChem CID109060255
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)NCCCN(C)C)cc2)c1
InChIInChI=1S/C20H27N3O3S/c1-15-6-7-16(2)19(14-15)22-27(25,26)18-10-8-17(9-11-18)20(24)21-12-5-13-23(3)4/h6-11,14,22H,5,12-13H2,1-4H3,(H,21,24)
InChIKeyGVNFTIURNLLCBQ-UHFFFAOYSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 109058641
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109229797
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide (CID 109060255) is N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)NCCCN(C)C)cc2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is GVNFTIURNLLCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-6-7-16(2)19(14-15)22-27(25,26)18-10-8-17(9-11-18)20(24)21-12-5-13-23(3)4/h6-11,14,22H,5,12-13H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109060255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).