3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide

C13H19N3O3S — CID 79385378

IUPAC3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)c1
InChIInChI=1S/C13H19N3O3S/c1-9-6-10(14)8-12(7-9)20(18,19)15-5-4-13(17)16-11-2-3-11/h6-8,11,15H,2-5,14H2,1H3,(H,16,17)
InChIKeyPYUZOHLBNCBDOF-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.52
Rot. Bonds6

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

3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide (PubChem CID 79385378) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
PubChem CID79385378
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)c1
InChIInChI=1S/C13H19N3O3S/c1-9-6-10(14)8-12(7-9)20(18,19)15-5-4-13(17)16-11-2-3-11/h6-8,11,15H,2-5,14H2,1H3,(H,16,17)
InChIKeyPYUZOHLBNCBDOF-UHFFFAOYSA-N
XLogP0.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
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-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 116792003
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79379980
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072
N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119475722
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide
CID 9165497
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463608
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide (CID 79385378) is 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide is Cc1cc(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)c1.
What is the InChIKey of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The InChIKey is PYUZOHLBNCBDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-6-10(14)8-12(7-9)20(18,19)15-5-4-13(17)16-11-2-3-11/h6-8,11,15H,2-5,14H2,1H3,(H,16,17).
What are the key properties of 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79385378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).