N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide

C9H11IN2OS — CID 164649538

IUPACN-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(I)cc1N
InChIInChI=1S/C9H11IN2OS/c1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyPIONXQVFHQWEFV-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.17
Rot. Bonds3

About N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide

N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide (PubChem CID 164649538) has the molecular formula C9H11IN2OS and a molecular weight of 322.17 g/mol. Its IUPAC name is N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide
PubChem CID164649538
Molecular FormulaC9H11IN2OS
Molecular Weight322.17 g/mol
Exact Mass321.96
IUPAC NameN-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(I)cc1N
InChIInChI=1S/C9H11IN2OS/c1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyPIONXQVFHQWEFV-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
CID 78965600
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide
CID 155947697
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
methyl 2-(2-amino-4-iodoanilino)acetate
CID 66066838
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64788324
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55667551
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
[2-(4-iodo-2-methylanilino)-2-oxoethyl] carbamimidothioate
CID 60641795
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide (CID 164649538) is N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(I)cc1N.
What is the InChIKey of N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide?
The InChIKey is PIONXQVFHQWEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2OS/c1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide?
N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide has a molecular weight of 322.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 164649538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).