4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide

C12H19N3O3S — CID 43703344

IUPAC4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCN)c1C
InChIInChI=1S/C12H19N3O3S/c1-8-6-10(19(14,17)18)7-11(9(8)2)15-12(16)4-3-5-13/h6-7H,3-5,13H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyFYFSVZZASJQJTL-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.63
Rot. Bonds5

About 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide

4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide (PubChem CID 43703344) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
PubChem CID43703344
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCN)c1C
InChIInChI=1S/C12H19N3O3S/c1-8-6-10(19(14,17)18)7-11(9(8)2)15-12(16)4-3-5-13/h6-7H,3-5,13H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyFYFSVZZASJQJTL-UHFFFAOYSA-N
XLogP0.63
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
CID 9257617
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81433885
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
CID 55363866
3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
CID 9257647
2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 34603259
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
CID 106954356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide?
The IUPAC name of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide (CID 43703344) is 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCN)c1C.
What is the InChIKey of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide?
The InChIKey is FYFSVZZASJQJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-6-10(19(14,17)18)7-11(9(8)2)15-12(16)4-3-5-13/h6-7H,3-5,13H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide?
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide is sourced from PubChem (CID 43703344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).