N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride

C12H19ClN2O4S — CID 119419084

IUPACN-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1N.Cl
InChIInChI=1S/C12H18N2O4S.ClH/c1-12(2,19(4,16)17)11(15)14-8-5-6-10(18-3)9(13)7-8;/h5-7H,13H2,1-4H3,(H,14,15);1H
InChIKeyXJOUMOIWVRFTKH-UHFFFAOYSA-N
MW322.81 g/mol
LogP1.46
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride (PubChem CID 119419084) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
PubChem CID119419084
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1N.Cl
InChIInChI=1S/C12H18N2O4S.ClH/c1-12(2,19(4,16)17)11(15)14-8-5-6-10(18-3)9(13)7-8;/h5-7H,13H2,1-4H3,(H,14,15);1H
InChIKeyXJOUMOIWVRFTKH-UHFFFAOYSA-N
XLogP1.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride (CID 119419084) is N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride is COc1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The InChIKey is XJOUMOIWVRFTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S.ClH/c1-12(2,19(4,16)17)11(15)14-8-5-6-10(18-3)9(13)7-8;/h5-7H,13H2,1-4H3,(H,14,15);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride has a molecular weight of 322.81 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 119419084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).