2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide

C13H20N2O4S — CID 81190278

IUPAC2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H20N2O4S/c1-9-4-5-11(14)8-12(9)20(17,18)10(2)13(16)15-6-7-19-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyNJCJIMIVIIKYFD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.50
Rot. Bonds6

About 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide

2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide (PubChem CID 81190278) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
PubChem CID81190278
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H20N2O4S/c1-9-4-5-11(14)8-12(9)20(17,18)10(2)13(16)15-6-7-19-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyNJCJIMIVIIKYFD-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
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

2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
2-(4-amino-2-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81184621
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322293
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
3-butan-2-ylsulfonyl-4-methylaniline
CID 81191209

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide (CID 81190278) is 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The InChIKey is NJCJIMIVIIKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-4-5-11(14)8-12(9)20(17,18)10(2)13(16)15-6-7-19-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81190278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).