3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide

C20H27N3O3S — CID 119502227

IUPAC3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCNC)c1
InChIInChI=1S/C20H27N3O3S/c1-3-4-15-23(18-10-6-5-7-11-18)27(25,26)19-12-8-9-17(16-19)20(24)22-14-13-21-2/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyKDDKECXFVNFLKA-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.63
Rot. Bonds10

About 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide

3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide (PubChem CID 119502227) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide
PubChem CID119502227
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCNC)c1
InChIInChI=1S/C20H27N3O3S/c1-3-4-15-23(18-10-6-5-7-11-18)27(25,26)19-12-8-9-17(16-19)20(24)22-14-13-21-2/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyKDDKECXFVNFLKA-UHFFFAOYSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.63
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-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119383856
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
[(2S)-1-amino-1-oxopropan-2-yl] 3-[butyl(phenyl)sulfamoyl]benzoate
CID 2577928
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide (CID 119502227) is 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide is CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCNC)c1.
What is the InChIKey of 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is KDDKECXFVNFLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-3-4-15-23(18-10-6-5-7-11-18)27(25,26)19-12-8-9-17(16-19)20(24)22-14-13-21-2/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 119502227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).