5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide

C14H14INO2S — CID 78949082

IUPAC5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2csc(I)c2)c1C
InChIInChI=1S/C14H14INO2S/c1-8-4-5-11(9(2)13(8)18-3)16-14(17)10-6-12(15)19-7-10/h4-7H,1-3H3,(H,16,17)
InChIKeyVUKFWQWXGNPRBF-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.23
Rot. Bonds3

About 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide

5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide (PubChem CID 78949082) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
PubChem CID78949082
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC Name5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2csc(I)c2)c1C
InChIInChI=1S/C14H14INO2S/c1-8-4-5-11(9(2)13(8)18-3)16-14(17)10-6-12(15)19-7-10/h4-7H,1-3H3,(H,16,17)
InChIKeyVUKFWQWXGNPRBF-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
CID 79692773
5-iodo-N-(4-methoxy-2-methylphenyl)thiophene-3-carboxamide
CID 78948835
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
4-[(5-iodothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 79685348
5-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 63860127
6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 66462513
N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
CID 78948667
methyl 5-fluoro-2-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78948985
2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 114325733
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
2-fluoro-N-(3-methoxy-2,4-dimethylphenyl)-5-methylbenzamide
CID 62509266

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide (CID 78949082) is 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide is COc1c(C)ccc(NC(=O)c2csc(I)c2)c1C.
What is the InChIKey of 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide?
The InChIKey is VUKFWQWXGNPRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c1-8-4-5-11(9(2)13(8)18-3)16-14(17)10-6-12(15)19-7-10/h4-7H,1-3H3,(H,16,17).
What are the key properties of 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide?
5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 78949082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).