2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide

C12H17BrN2O3S — CID 81207237

IUPAC2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)c1cc(Br)ccc1N
InChIInChI=1S/C12H17BrN2O3S/c1-8(12(16)15-5-6-18-2)19(17)11-7-9(13)3-4-10(11)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyWWFSRJQSJDKKSB-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.29
Rot. Bonds6

About 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide

2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide (PubChem CID 81207237) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
PubChem CID81207237
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)c1cc(Br)ccc1N
InChIInChI=1S/C12H17BrN2O3S/c1-8(12(16)15-5-6-18-2)19(17)11-7-9(13)3-4-10(11)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyWWFSRJQSJDKKSB-UHFFFAOYSA-N
XLogP1.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81207002
2-(2-amino-5-bromophenyl)sulfinyl-N-methylpropanamide
CID 81206667
4-bromo-2-(2-methoxyethylsulfinyl)aniline
CID 81207153
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81183646
2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81185588
2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 81200685
2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81184227
2-(2-amino-5-bromophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
CID 81207163
2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
CID 102946475
4-bromo-2-(2-methylpropylsulfinyl)aniline
CID 81206911
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
(2R)-2-(5-bromo-2-methoxyphenyl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 100634236

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide (CID 81207237) is 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
The InChIKey is WWFSRJQSJDKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-8(12(16)15-5-6-18-2)19(17)11-7-9(13)3-4-10(11)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide has a molecular weight of 349.25 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81207237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).