4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide

C12H19N3O4S — CID 106333049

IUPAC4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCS(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C12H19N3O4S/c1-15(2)20(17,18)7-6-14-12(16)9-4-5-10(13)11(8-9)19-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyGBGKWSJGRMOYNY-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.10
Rot. Bonds6

About 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide

4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide (PubChem CID 106333049) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
PubChem CID106333049
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCS(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C12H19N3O4S/c1-15(2)20(17,18)7-6-14-12(16)9-4-5-10(13)11(8-9)19-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyGBGKWSJGRMOYNY-UHFFFAOYSA-N
XLogP-0.10
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
acetic acid;3-(3-aminopropoxy)-N-[2-(dimethylsulfamoyl)ethyl]-4-methylbenzamide
CID 154903818
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618708
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide (CID 106333049) is 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NCCS(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide?
The InChIKey is GBGKWSJGRMOYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-15(2)20(17,18)7-6-14-12(16)9-4-5-10(13)11(8-9)19-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide?
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide has a molecular weight of 301.37 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 106333049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).