2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide

C12H17BrN2O3S — CID 81184227

IUPAC2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CS(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O3S/c1-18-6-2-5-15-12(16)8-19(17)11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyPQKMWLZXIUCSMS-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.29
Rot. Bonds7

About 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide

2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide (PubChem CID 81184227) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
PubChem CID81184227
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CS(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O3S/c1-18-6-2-5-15-12(16)8-19(17)11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyPQKMWLZXIUCSMS-UHFFFAOYSA-N
XLogP1.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(2-amino-5-bromophenyl)sulfinyl-N-butylacetamide
CID 81207148
2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 81185948
2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81185351
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276
4-bromo-2-[2-(butylamino)-2-oxoethyl]sulfinylbenzoic acid
CID 115382471
2-[(5-amino-1,3-benzoxazol-2-yl)sulfinyl]-N-(3-methoxypropyl)acetamide
CID 61486762
2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81207237
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
2-(4-bromo-2-cyanophenoxy)-N-(3-methoxypropyl)acetamide
CID 80601774

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide (CID 81184227) is 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CS(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The InChIKey is PQKMWLZXIUCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-18-6-2-5-15-12(16)8-19(17)11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide has a molecular weight of 349.25 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 81184227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).