2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

C15H24N2O3S — CID 81187150

IUPAC2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)c1cccc(C)c1N
InChIInChI=1S/C15H24N2O3S/c1-6-15(4,5)17-14(18)11(3)21(19,20)12-9-7-8-10(2)13(12)16/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeySGDKIKNGZNFMRL-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 81187150) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID81187150
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)c1cccc(C)c1N
InChIInChI=1S/C15H24N2O3S/c1-6-15(4,5)17-14(18)11(3)21(19,20)12-9-7-8-10(2)13(12)16/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeySGDKIKNGZNFMRL-UHFFFAOYSA-N
XLogP2.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.04
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-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81185373
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81201862
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
2-(2-amino-3-methylphenyl)sulfonylpropanenitrile
CID 81189066
2-methyl-6-(1-phenylethylsulfonyl)aniline
CID 81187771
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81187306
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81202396
2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61296584
2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
CID 61367476
2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide
CID 61368574

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (CID 81187150) is 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)S(=O)(=O)c1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is SGDKIKNGZNFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-15(4,5)17-14(18)11(3)21(19,20)12-9-7-8-10(2)13(12)16/h7-9,11H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 81187150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).