N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide

C20H27N3O3S — CID 109064243

IUPACN-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
SMILESCCc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C20H27N3O3S/c1-4-16-9-5-6-12-19(16)22-27(25,26)18-11-7-10-17(15-18)20(24)21-13-8-14-23(2)3/h5-7,9-12,15,22H,4,8,13-14H2,1-3H3,(H,21,24)
InChIKeyOAZDRHCDZYMCMH-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.73
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide

N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide (PubChem CID 109064243) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
PubChem CID109064243
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
SMILESCCc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C20H27N3O3S/c1-4-16-9-5-6-12-19(16)22-27(25,26)18-11-7-10-17(15-18)20(24)21-13-8-14-23(2)3/h5-7,9-12,15,22H,4,8,13-14H2,1-3H3,(H,21,24)
InChIKeyOAZDRHCDZYMCMH-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.73
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

N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
N-[2-(dimethylamino)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109064098
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55720773
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide (CID 109064243) is N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide is CCc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide?
The InChIKey is OAZDRHCDZYMCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-16-9-5-6-12-19(16)22-27(25,26)18-11-7-10-17(15-18)20(24)21-13-8-14-23(2)3/h5-7,9-12,15,22H,4,8,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide?
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109064243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).