4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide

C12H19N3O4S — CID 103154438

IUPAC4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)CC(CN)OC
InChIInChI=1S/C12H19N3O4S/c1-14-20(17,18)11-6-4-3-5-10(11)15-12(16)7-9(8-13)19-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyDWKXUBPVMZSSNJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.10
Rot. Bonds7

About 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide

4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide (PubChem CID 103154438) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
PubChem CID103154438
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)CC(CN)OC
InChIInChI=1S/C12H19N3O4S/c1-14-20(17,18)11-6-4-3-5-10(11)15-12(16)7-9(8-13)19-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyDWKXUBPVMZSSNJ-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-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
CID 120596280
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 61156317
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide (CID 103154438) is 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1ccccc1NC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is DWKXUBPVMZSSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-14-20(17,18)11-6-4-3-5-10(11)15-12(16)7-9(8-13)19-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide?
4-amino-3-methoxy-N-[2-(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-[2-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 103154438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).