3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide

C12H19N3O3S — CID 119763137

IUPAC3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide
SMILESCCS(=O)(=O)NCCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-2-19(17,18)15-8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9,15H,2,4,7-8,13H2,1H3,(H,14,16)
InChIKeyHVXRHBRDADCSBD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.33
Rot. Bonds7

About 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide

3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide (PubChem CID 119763137) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide
PubChem CID119763137
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide
SMILESCCS(=O)(=O)NCCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-2-19(17,18)15-8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9,15H,2,4,7-8,13H2,1H3,(H,14,16)
InChIKeyHVXRHBRDADCSBD-UHFFFAOYSA-N
XLogP0.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
4-(aminomethyl)-N-[3-(ethylsulfonylamino)propyl]benzamide
CID 119311626
3-[(3-aminobenzoyl)amino]propyl sulfamate
CID 121382844
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
3-[(3-aminobenzoyl)amino]-N-[3-[[3-[(3-aminobenzoyl)amino]-5-benzamidobenzoyl]amino]propyl]-5-benzamidobenzamide
CID 10259687
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
[3-[2-(ethylsulfonylamino)ethylcarbamoyl]phenyl] acetate
CID 108570460

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide?
The IUPAC name of 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide (CID 119763137) is 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide is CCS(=O)(=O)NCCCNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide?
The InChIKey is HVXRHBRDADCSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-19(17,18)15-8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9,15H,2,4,7-8,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide?
3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide has a molecular weight of 285.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide is sourced from PubChem (CID 119763137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).