N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide

C9H9IN2OS — CID 64787572

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
SMILESCc1sc(NC(=O)CI)c(C#N)c1C
InChIInChI=1S/C9H9IN2OS/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13)
InChIKeySQHMDMKETAAMOG-UHFFFAOYSA-N
MW320.16 g/mol
LogP2.61
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide (PubChem CID 64787572) has the molecular formula C9H9IN2OS and a molecular weight of 320.16 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
PubChem CID64787572
Molecular FormulaC9H9IN2OS
Molecular Weight320.16 g/mol
Exact Mass319.95
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
SMILESCc1sc(NC(=O)CI)c(C#N)c1C
InChIInChI=1S/C9H9IN2OS/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13)
InChIKeySQHMDMKETAAMOG-UHFFFAOYSA-N
XLogP2.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
CID 4289593
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410985
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide (CID 64787572) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide is Cc1sc(NC(=O)CI)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide?
The InChIKey is SQHMDMKETAAMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2OS/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide has a molecular weight of 320.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide is sourced from PubChem (CID 64787572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).