N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide

C14H22N2O4S — CID 63857920

IUPACN-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
SMILESCOCCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C14H22N2O4S/c1-10-9-12(15)5-6-13(10)16-14(17)11(2)21(18,19)8-4-7-20-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyVYXWNCJQWZGFCC-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.36
Rot. Bonds7

About N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide

N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide (PubChem CID 63857920) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
PubChem CID63857920
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
SMILESCOCCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C14H22N2O4S/c1-10-9-12(15)5-6-13(10)16-14(17)11(2)21(18,19)8-4-7-20-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyVYXWNCJQWZGFCC-UHFFFAOYSA-N
XLogP1.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751582
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382496
N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
CID 107751449
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
CID 82180098
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
methyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfonylacetate
CID 43618134

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide (CID 63857920) is N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide is COCCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide?
The InChIKey is VYXWNCJQWZGFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-9-12(15)5-6-13(10)16-14(17)11(2)21(18,19)8-4-7-20-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide?
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide is sourced from PubChem (CID 63857920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).