N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride

C14H23ClN2O4S — CID 119420984

IUPACN-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCS(=O)(=O)CC(C)C)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-10(2)9-21(18,19)7-6-14(17)16-13-8-11(20-3)4-5-12(13)15;/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17);1H
InChIKeyVLLFXXVUPPFYEW-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.10
Rot. Bonds7

About N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride (PubChem CID 119420984) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
PubChem CID119420984
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCS(=O)(=O)CC(C)C)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-10(2)9-21(18,19)7-6-14(17)16-13-8-11(20-3)4-5-12(13)15;/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17);1H
InChIKeyVLLFXXVUPPFYEW-UHFFFAOYSA-N
XLogP2.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848
N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
CID 119421581
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119421823
N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
CID 43615944
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119421073
N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide
CID 47038208
N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119420945
N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 119421736
N-(2-amino-5-methoxyphenyl)-4-methyl-3-phenylpentanamide
CID 119420670
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
CID 119421695
N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride (CID 119420984) is N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride is COc1ccc(N)c(NC(=O)CCS(=O)(=O)CC(C)C)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The InChIKey is VLLFXXVUPPFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-10(2)9-21(18,19)7-6-14(17)16-13-8-11(20-3)4-5-12(13)15;/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride is sourced from PubChem (CID 119420984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).