N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide

C12H19N3O4S — CID 119382099

IUPACN-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCN)c1
InChIInChI=1S/C12H19N3O4S/c1-19-8-7-15-20(17,18)11-4-2-3-10(9-11)12(16)14-6-5-13/h2-4,9,15H,5-8,13H2,1H3,(H,14,16)
InChIKeyHIOJHVAUGBKVOJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.70
Rot. Bonds8

About N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide

N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 119382099) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID119382099
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NCCN)c1
InChIInChI=1S/C12H19N3O4S/c1-19-8-7-15-20(17,18)11-4-2-3-10(9-11)12(16)14-6-5-13/h2-4,9,15H,5-8,13H2,1H3,(H,14,16)
InChIKeyHIOJHVAUGBKVOJ-UHFFFAOYSA-N
XLogP-0.70
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-(3-aminopropylsulfamoyl)-N-(2-methylsulfonylethyl)benzamide
CID 77080072
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide (CID 119382099) is N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is HIOJHVAUGBKVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-19-8-7-15-20(17,18)11-4-2-3-10(9-11)12(16)14-6-5-13/h2-4,9,15H,5-8,13H2,1H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide?
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 301.37 g/mol, XLogP of -0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 119382099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).