N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide

C15H24N2O3S — CID 107751663

IUPACN-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)9-21(19,20)12(4)15(18)17-14-8-6-7-13(16)11(14)3/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyWUWMURFKTFGBJS-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.37
Rot. Bonds6

About N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide

N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide (PubChem CID 107751663) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
PubChem CID107751663
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)9-21(19,20)12(4)15(18)17-14-8-6-7-13(16)11(14)3/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyWUWMURFKTFGBJS-UHFFFAOYSA-N
XLogP2.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.37
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

N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751658
N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751582
N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
CID 107767176
N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272512
N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
CID 16779035
2-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]sulfonylacetic acid
CID 82180446
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753806
1-(3-amino-2-methylphenyl)-3-ethylurea
CID 43164799
(3-amino-2-methylphenyl)urea
CID 16770559
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119793659

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide (CID 107751663) is N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide is CCC(C)CS(=O)(=O)C(C)C(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
The InChIKey is WUWMURFKTFGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-10(2)9-21(19,20)12(4)15(18)17-14-8-6-7-13(16)11(14)3/h6-8,10,12H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide?
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 107751663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).