2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide

C13H14IN3OS — CID 42254906

IUPAC2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
SMILESCCn1ccnc1SCC(=O)Nc1ccccc1I
InChIInChI=1S/C13H14IN3OS/c1-2-17-8-7-15-13(17)19-9-12(18)16-11-6-4-3-5-10(11)14/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyXSUXRXIJCUDMGF-UHFFFAOYSA-N
MW387.25 g/mol
LogP3.24
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide

2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide (PubChem CID 42254906) has the molecular formula C13H14IN3OS and a molecular weight of 387.25 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
PubChem CID42254906
Molecular FormulaC13H14IN3OS
Molecular Weight387.25 g/mol
Exact Mass386.99
IUPAC Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
SMILESCCn1ccnc1SCC(=O)Nc1ccccc1I
InChIInChI=1S/C13H14IN3OS/c1-2-17-8-7-15-13(17)19-9-12(18)16-11-6-4-3-5-10(11)14/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyXSUXRXIJCUDMGF-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
2-(2-hydroxyphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 62000302
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 27762979
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791044
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791045
N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 42255415
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 51320066
N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8707821
N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 51096694

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide (CID 42254906) is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide is CCn1ccnc1SCC(=O)Nc1ccccc1I.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide?
The InChIKey is XSUXRXIJCUDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3OS/c1-2-17-8-7-15-13(17)19-9-12(18)16-11-6-4-3-5-10(11)14/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide?
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide has a molecular weight of 387.25 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 42254906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).