N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

C18H23N3O3S — CID 119405879

IUPACN-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCN)c1
InChIInChI=1S/C18H23N3O3S/c1-2-21(16-9-4-3-5-10-16)25(23,24)17-11-6-8-15(14-17)18(22)20-13-7-12-19/h3-6,8-11,14H,2,7,12-13,19H2,1H3,(H,20,22)
InChIKeyCVNKJRRIZDWCTB-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.98
Rot. Bonds8

About N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 119405879) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID119405879
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCN)c1
InChIInChI=1S/C18H23N3O3S/c1-2-21(16-9-4-3-5-10-16)25(23,24)17-11-6-8-15(14-17)18(22)20-13-7-12-19/h3-6,8-11,14H,2,7,12-13,19H2,1H3,(H,20,22)
InChIKeyCVNKJRRIZDWCTB-UHFFFAOYSA-N
XLogP1.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.98
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
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide
CID 119502227
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
3-[ethyl-(3-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063706
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 119405879) is N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCN)c1.
What is the InChIKey of N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is CVNKJRRIZDWCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-21(16-9-4-3-5-10-16)25(23,24)17-11-6-8-15(14-17)18(22)20-13-7-12-19/h3-6,8-11,14H,2,7,12-13,19H2,1H3,(H,20,22).
What are the key properties of N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119405879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).