N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide

C13H20N2O4S — CID 60884523

IUPACN-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
SMILESCOc1ccc(N)cc1NC(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-9(2)20(17,18)7-6-13(16)15-11-8-10(14)4-5-12(11)19-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyFNPZNWCHIIHWBF-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.43
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide

N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide (PubChem CID 60884523) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
PubChem CID60884523
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
SMILESCOc1ccc(N)cc1NC(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-9(2)20(17,18)7-6-13(16)15-11-8-10(14)4-5-12(11)19-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyFNPZNWCHIIHWBF-UHFFFAOYSA-N
XLogP1.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.43
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-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237
N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753824
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide
CID 107751430
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753805
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide (CID 60884523) is N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide is COc1ccc(N)cc1NC(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
The InChIKey is FNPZNWCHIIHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)20(17,18)7-6-13(16)15-11-8-10(14)4-5-12(11)19-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 60884523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).