N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide

C13H21N3O3S — CID 119508738

IUPACN-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
SMILESCCNCCNC(=O)c1ccccc1NS(=O)(=O)CC
InChIInChI=1S/C13H21N3O3S/c1-3-14-9-10-15-13(17)11-7-5-6-8-12(11)16-20(18,19)4-2/h5-8,14,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyCRGWAQYLKYDTLN-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.79
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide

N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide (PubChem CID 119508738) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
PubChem CID119508738
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
SMILESCCNCCNC(=O)c1ccccc1NS(=O)(=O)CC
InChIInChI=1S/C13H21N3O3S/c1-3-14-9-10-15-13(17)11-7-5-6-8-12(11)16-20(18,19)4-2/h5-8,14,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyCRGWAQYLKYDTLN-UHFFFAOYSA-N
XLogP0.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119504864
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
CID 119507988
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
CID 119389714
2-[(2-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321694
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide (CID 119508738) is N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide is CCNCCNC(=O)c1ccccc1NS(=O)(=O)CC.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide?
The InChIKey is CRGWAQYLKYDTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-14-9-10-15-13(17)11-7-5-6-8-12(11)16-20(18,19)4-2/h5-8,14,16H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide?
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide has a molecular weight of 299.40 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 119508738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).