2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide

C13H21N3O3S — CID 61115052

IUPAC2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-9(2)7-16(8-13(15)17)20(18,19)12-5-10(3)4-11(14)6-12/h4-6,9H,7-8,14H2,1-3H3,(H2,15,17)
InChIKeyLJUOLOAYQCHERE-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.71
Rot. Bonds6

About 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide

2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 61115052) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID61115052
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-9(2)7-16(8-13(15)17)20(18,19)12-5-10(3)4-11(14)6-12/h4-6,9H,7-8,14H2,1-3H3,(H2,15,17)
InChIKeyLJUOLOAYQCHERE-UHFFFAOYSA-N
XLogP0.71
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.71
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

2-[(3-amino-5-methylphenyl)sulfonyl-butylamino]acetamide
CID 61107191
2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61116167
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
2-[(4-methoxy-2,5-dimethylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 47064798
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322704
3-amino-N-(2-cyanopropyl)-N,5-dimethylbenzenesulfonamide
CID 61138827
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
CID 43263056
5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 82222964

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide (CID 61115052) is 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide is Cc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(C)C)c1.
What is the InChIKey of 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is LJUOLOAYQCHERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)7-16(8-13(15)17)20(18,19)12-5-10(3)4-11(14)6-12/h4-6,9H,7-8,14H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 61115052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).