2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide

C12H18BrN3O4S — CID 81396931

IUPAC2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C12H18BrN3O4S/c1-4-15-12(17)7(2)16-21(18,19)11-6-9(14)8(13)5-10(11)20-3/h5-7,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyZXHYMDGZKZJESY-UHFFFAOYSA-N
MW380.26 g/mol
LogP0.84
Rot. Bonds6

About 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide

2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 81396931) has the molecular formula C12H18BrN3O4S and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID81396931
Molecular FormulaC12H18BrN3O4S
Molecular Weight380.26 g/mol
Exact Mass379.02
IUPAC Name2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C12H18BrN3O4S/c1-4-15-12(17)7(2)16-21(18,19)11-6-9(14)8(13)5-10(11)20-3/h5-7,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyZXHYMDGZKZJESY-UHFFFAOYSA-N
XLogP0.84
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9190128
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 81413597
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 81414077
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 80708583
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide (CID 81396931) is 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(Br)cc1OC.
What is the InChIKey of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is ZXHYMDGZKZJESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O4S/c1-4-15-12(17)7(2)16-21(18,19)11-6-9(14)8(13)5-10(11)20-3/h5-7,16H,4,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide?
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 380.26 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 81396931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).