4-iodo-N-methoxy-N-methylthiophene-2-carboxamide

C7H8INO2S — CID 156842877

IUPAC4-iodo-N-methoxy-N-methylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc(I)cs1
InChIInChI=1S/C7H8INO2S/c1-9(11-2)7(10)6-3-5(8)4-12-6/h3-4H,1-2H3
InChIKeyJZFUAJWLUNPPAZ-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.99
Rot. Bonds2

About 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide

4-iodo-N-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 156842877) has the molecular formula C7H8INO2S and a molecular weight of 297.12 g/mol. Its IUPAC name is 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-iodo-N-methoxy-N-methylthiophene-2-carboxamide
PubChem CID156842877
Molecular FormulaC7H8INO2S
Molecular Weight297.12 g/mol
Exact Mass296.93
IUPAC Name4-iodo-N-methoxy-N-methylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc(I)cs1
InChIInChI=1S/C7H8INO2S/c1-9(11-2)7(10)6-3-5(8)4-12-6/h3-4H,1-2H3
InChIKeyJZFUAJWLUNPPAZ-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-iodo-N-methoxy-N-methylbenzamide
CID 135067027
5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide
CID 47265212
N-methoxy-N,3,4-trimethylthiophene-2-carboxamide
CID 10536001
N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 22891672
ethane;N-methoxy-N,5,5-trimethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
CID 143467172
N-methoxy-2-[8-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]octyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 134850734
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 58045996
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide (CID 156842877) is 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide is CON(C)C(=O)c1cc(I)cs1.
What is the InChIKey of 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is JZFUAJWLUNPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2S/c1-9(11-2)7(10)6-3-5(8)4-12-6/h3-4H,1-2H3.
What are the key properties of 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide?
4-iodo-N-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 297.12 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 156842877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).