3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

C12H19N3O3S — CID 61126072

IUPAC3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O3S/c1-9-6-10(13)8-11(7-9)19(17,18)14-5-4-12(16)15(2)3/h6-8,14H,4-5,13H2,1-3H3
InChIKeyFETCFFBFXLTFSZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.33
Rot. Bonds5

About 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 61126072) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID61126072
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O3S/c1-9-6-10(13)8-11(7-9)19(17,18)14-5-4-12(16)15(2)3/h6-8,14H,4-5,13H2,1-3H3
InChIKeyFETCFFBFXLTFSZ-UHFFFAOYSA-N
XLogP0.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79385378
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 63824969
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 61126072) is 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is Cc1cc(N)cc(S(=O)(=O)NCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is FETCFFBFXLTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-6-10(13)8-11(7-9)19(17,18)14-5-4-12(16)15(2)3/h6-8,14H,4-5,13H2,1-3H3.
What are the key properties of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 285.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61126072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).