2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide

C14H22N2O3S — CID 81182888

IUPAC2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide
SMILESCc1ccc(N)c(S(=O)(=O)C(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-9(2)8-16-14(17)11(4)20(18,19)13-7-10(3)5-6-12(13)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17)
InChIKeySJZRHFUBDQXRLT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds5

About 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide

2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide (PubChem CID 81182888) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide
PubChem CID81182888
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide
SMILESCc1ccc(N)c(S(=O)(=O)C(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-9(2)8-16-14(17)11(4)20(18,19)13-7-10(3)5-6-12(13)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17)
InChIKeySJZRHFUBDQXRLT-UHFFFAOYSA-N
XLogP1.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide (CID 81182888) is 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide is Cc1ccc(N)c(S(=O)(=O)C(C)C(=O)NCC(C)C)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The InChIKey is SJZRHFUBDQXRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)8-16-14(17)11(4)20(18,19)13-7-10(3)5-6-12(13)15/h5-7,9,11H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide?
2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 81182888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).