2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide

C14H23N3O3S — CID 79885689

IUPAC2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C14H23N3O3S/c1-5-6-16-14(18)11(4)17-21(19,20)13-8-9(2)7-12(15)10(13)3/h7-8,11,17H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyNNYBCHKPNUVBFF-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.08
Rot. Bonds6

About 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide

2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 79885689) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID79885689
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C14H23N3O3S/c1-5-6-16-14(18)11(4)17-21(19,20)13-8-9(2)7-12(15)10(13)3/h7-8,11,17H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyNNYBCHKPNUVBFF-UHFFFAOYSA-N
XLogP1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.08
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

2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 61476091
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 79889407
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343844
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 115421457
2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 114379316
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
3-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide (CID 79885689) is 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1cc(C)cc(N)c1C.
What is the InChIKey of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is NNYBCHKPNUVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-6-16-14(18)11(4)17-21(19,20)13-8-9(2)7-12(15)10(13)3/h7-8,11,17H,5-6,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 313.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 79885689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).