N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide

C19H17FIN3O4S — CID 86671098

IUPACN-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
SMILESC=COCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ccsc12
InChIInChI=1S/C19H17FIN3O4S/c1-3-27-7-8-28-23-18(25)15-16-12(6-9-29-16)19(26)24(2)17(15)22-14-5-4-11(21)10-13(14)20/h3-6,9-10,22H,1,7-8H2,2H3,(H,23,25)
InChIKeyTUPAXQMLHVWOOM-UHFFFAOYSA-N
MW529.33 g/mol
LogP3.91
Rot. Bonds8

About N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide

N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide (PubChem CID 86671098) has the molecular formula C19H17FIN3O4S and a molecular weight of 529.33 g/mol. Its IUPAC name is N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
PubChem CID86671098
Molecular FormulaC19H17FIN3O4S
Molecular Weight529.33 g/mol
Exact Mass529.00
IUPAC NameN-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
SMILESC=COCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ccsc12
InChIInChI=1S/C19H17FIN3O4S/c1-3-27-7-8-28-23-18(25)15-16-12(6-9-29-16)19(26)24(2)17(15)22-14-5-4-11(21)10-13(14)20/h3-6,9-10,22H,1,7-8H2,2H3,(H,23,25)
InChIKeyTUPAXQMLHVWOOM-UHFFFAOYSA-N
XLogP3.91
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide
CID 87427349
6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551
N-(2-ethenoxyethoxy)-4-(2-fluoro-4-iodoanilino)-1,2-benzothiazole-5-carboxamide
CID 86656247
N-[(3S)-3,4-dihydroxybutoxy]-4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 25108961
2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
CID 25124822
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
6-(2-chloro-4-iodoanilino)-5-methyl-N-(3-nitrosopropyl)-4-oxothieno[3,2-c]pyridine-7-carbohydrazide
CID 126592568
[2-[4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 25109799

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide (CID 86671098) is N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide is C=COCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ccsc12.
What is the InChIKey of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is TUPAXQMLHVWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FIN3O4S/c1-3-27-7-8-28-23-18(25)15-16-12(6-9-29-16)19(26)24(2)17(15)22-14-5-4-11(21)10-13(14)20/h3-6,9-10,22H,1,7-8H2,2H3,(H,23,25).
What are the key properties of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide?
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 529.33 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 86671098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).