4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide

C13H21N3O4S — CID 103154687

IUPAC4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H21N3O4S/c1-16(2)21(18,19)12-6-4-5-10(7-12)15-13(17)8-11(9-14)20-3/h4-7,11H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyBQGIJPSMJKLKGG-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.24
Rot. Bonds7

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

4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide (PubChem CID 103154687) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
PubChem CID103154687
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H21N3O4S/c1-16(2)21(18,19)12-6-4-5-10(7-12)15-13(17)8-11(9-14)20-3/h4-7,11H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyBQGIJPSMJKLKGG-UHFFFAOYSA-N
XLogP0.24
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide 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

4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120594010
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide (CID 103154687) is 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide?
The InChIKey is BQGIJPSMJKLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-16(2)21(18,19)12-6-4-5-10(7-12)15-13(17)8-11(9-14)20-3/h4-7,11H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide?
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide has a molecular weight of 315.40 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 103154687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).