4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide

C12H19N3O4S — CID 103154603

IUPAC4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C12H19N3O4S/c1-14-20(17,18)11-5-3-4-9(6-11)15-12(16)7-10(8-13)19-2/h3-6,10,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyILUASAPPZVIUFQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.10
Rot. Bonds7

About 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide

4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide (PubChem CID 103154603) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
PubChem CID103154603
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C12H19N3O4S/c1-14-20(17,18)11-5-3-4-9(6-11)15-12(16)7-10(8-13)19-2/h3-6,10,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyILUASAPPZVIUFQ-UHFFFAOYSA-N
XLogP-0.10
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120594010
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide (CID 103154603) is 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1cccc(NC(=O)CC(CN)OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is ILUASAPPZVIUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-14-20(17,18)11-5-3-4-9(6-11)15-12(16)7-10(8-13)19-2/h3-6,10,14H,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide?
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 301.37 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 103154603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).