2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide

C14H22N2O3S — CID 81183653

IUPAC2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H22N2O3S/c1-4-5-11(3)16-14(17)9-20(18,19)13-8-10(2)6-7-12(13)15/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyZHRFNWIJQCKUOW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.66
Rot. Bonds6

About 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide

2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide (PubChem CID 81183653) 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-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
PubChem CID81183653
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H22N2O3S/c1-4-5-11(3)16-14(17)9-20(18,19)13-8-10(2)6-7-12(13)15/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyZHRFNWIJQCKUOW-UHFFFAOYSA-N
XLogP1.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.66
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

3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81183138
2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81202581
2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81185379
2-[(3-amino-2-pyridinyl)sulfonyl]-N-pentan-2-ylacetamide
CID 61489654
2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide
CID 81183484
2-(5-amino-2-methylphenyl)sulfonyl-N-butan-2-ylacetamide
CID 81191298
2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 81180693
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100781619
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
CID 81183828

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide (CID 81183653) is 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CS(=O)(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide?
The InChIKey is ZHRFNWIJQCKUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-5-11(3)16-14(17)9-20(18,19)13-8-10(2)6-7-12(13)15/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide?
2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.66, 6 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-pentan-2-ylacetamide is sourced from PubChem (CID 81183653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).