2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide

C11H15IN2OS — CID 66218573

IUPAC2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
SMILESNCCCSCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C11H15IN2OS/c12-9-3-1-4-10(7-9)14-11(15)8-16-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15)
InChIKeyZOLPFXIYNUFFIX-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.31
Rot. Bonds6

About 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide

2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide (PubChem CID 66218573) has the molecular formula C11H15IN2OS and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
PubChem CID66218573
Molecular FormulaC11H15IN2OS
Molecular Weight350.23 g/mol
Exact Mass349.99
IUPAC Name2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
SMILESNCCCSCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C11H15IN2OS/c12-9-3-1-4-10(7-9)14-11(15)8-16-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15)
InChIKeyZOLPFXIYNUFFIX-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66233279
2-(2-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66229191
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66220054
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
4-[[2-(3-aminopropylsulfanyl)acetyl]amino]benzoic acid
CID 82180051
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2535856
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 47262894
2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 9045999

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide (CID 66218573) is 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide is NCCCSCC(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide?
The InChIKey is ZOLPFXIYNUFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2OS/c12-9-3-1-4-10(7-9)14-11(15)8-16-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide has a molecular weight of 350.23 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 66218573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).