3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide

C12H19N3O4S — CID 106111504

IUPAC3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19N3O4S/c1-15(2)20(17,18)10-6-4-9(5-7-10)14-12(16)11(8-13)19-3/h4-7,11H,8,13H2,1-3H3,(H,14,16)
InChIKeyFDBCLBISSKKMBN-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.15
Rot. Bonds6

About 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide

3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide (PubChem CID 106111504) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
PubChem CID106111504
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19N3O4S/c1-15(2)20(17,18)10-6-4-9(5-7-10)14-12(16)11(8-13)19-3/h4-7,11H,8,13H2,1-3H3,(H,14,16)
InChIKeyFDBCLBISSKKMBN-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 106112552
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
CID 107143973
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38908113
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 106111636
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide
CID 95774605

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide (CID 106111504) is 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide is COC(CN)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide?
The InChIKey is FDBCLBISSKKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-15(2)20(17,18)10-6-4-9(5-7-10)14-12(16)11(8-13)19-3/h4-7,11H,8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide?
3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide has a molecular weight of 301.37 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 106111504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).