3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide

C12H19N3O3S — CID 106332827

IUPAC3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-3-15-19(17,18)5-4-14-12(16)10-6-9(2)7-11(13)8-10/h6-8,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyWUYZXJGMJZSTFK-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.25
Rot. Bonds6

About 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide

3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide (PubChem CID 106332827) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
PubChem CID106332827
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-3-15-19(17,18)5-4-14-12(16)10-6-9(2)7-11(13)8-10/h6-8,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyWUYZXJGMJZSTFK-UHFFFAOYSA-N
XLogP0.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 113349718
N-[2-(ethylsulfamoyl)ethyl]-3,5-dimethoxybenzamide
CID 7619023
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 106340904
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
3,5-diamino-N-propylbenzamide
CID 20701636
5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 113233794
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 106333123
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
N-butyl-3,5-dimethylbenzamide
CID 17190927
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
N-[2-(ethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340923

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide (CID 106332827) is 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide is CCNS(=O)(=O)CCNC(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide?
The InChIKey is WUYZXJGMJZSTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-15-19(17,18)5-4-14-12(16)10-6-9(2)7-11(13)8-10/h6-8,15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide?
3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide has a molecular weight of 285.37 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 106332827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).