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

C12H19N3O3S — CID 43707686

IUPAC4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)11-6-3-5-10(9-11)14-12(16)7-4-8-13/h3,5-6,9H,4,7-8,13H2,1-2H3,(H,14,16)
InChIKeyGYUCSYCLXACUOJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.61
Rot. Bonds6

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

4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide (PubChem CID 43707686) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
PubChem CID43707686
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)11-6-3-5-10(9-11)14-12(16)7-4-8-13/h3,5-6,9H,4,7-8,13H2,1-2H3,(H,14,16)
InChIKeyGYUCSYCLXACUOJ-UHFFFAOYSA-N
XLogP0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide (CID 43707686) is 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The InChIKey is GYUCSYCLXACUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(2)19(17,18)11-6-3-5-10(9-11)14-12(16)7-4-8-13/h3,5-6,9H,4,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 43707686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).