3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide

C13H20N2O3S — CID 81183138

IUPAC3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCc1ccc(N)c(S(=O)(=O)CCC(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O3S/c1-9(2)15-13(16)6-7-19(17,18)12-8-10(3)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyFLACYDSNKNBQIG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.27
Rot. Bonds5

About 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide

3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide (PubChem CID 81183138) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
PubChem CID81183138
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCc1ccc(N)c(S(=O)(=O)CCC(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O3S/c1-9(2)15-13(16)6-7-19(17,18)12-8-10(3)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyFLACYDSNKNBQIG-UHFFFAOYSA-N
XLogP1.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.27
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 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide (CID 81183138) is 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide is Cc1ccc(N)c(S(=O)(=O)CCC(=O)NC(C)C)c1.
What is the InChIKey of 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?
The InChIKey is FLACYDSNKNBQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)15-13(16)6-7-19(17,18)12-8-10(3)4-5-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?
3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 81183138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).