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

C13H21N3O3S — CID 61115794

IUPAC2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C13H21N3O3S/c1-9(2)7-16(8-13(15)17)20(18,19)12-6-11(14)5-4-10(12)3/h4-6,9H,7-8,14H2,1-3H3,(H2,15,17)
InChIKeyHLOUFKOUQHNMCY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.71
Rot. Bonds6

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

2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 61115794) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID61115794
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C13H21N3O3S/c1-9(2)7-16(8-13(15)17)20(18,19)12-6-11(14)5-4-10(12)3/h4-6,9H,7-8,14H2,1-3H3,(H2,15,17)
InChIKeyHLOUFKOUQHNMCY-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

5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
2-[(4-methoxy-2,5-dimethylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 47064798
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115052
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61116167
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
CID 61138965
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide (CID 61115794) is 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide is Cc1ccc(N)cc1S(=O)(=O)N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is HLOUFKOUQHNMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)7-16(8-13(15)17)20(18,19)12-6-11(14)5-4-10(12)3/h4-6,9H,7-8,14H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
2-[(5-amino-2-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-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 61115794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).