N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

C17H15FN2O5S — CID 118728437

IUPACN-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc3cc(C(=O)NO)sc3c2F)o1
InChIInChI=1S/C17H15FN2O5S/c1-24-8-11-4-5-12(25-11)16(21)19-7-10-3-2-9-6-13(17(22)20-23)26-15(9)14(10)18/h2-6,23H,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyOGTCUGPJWSHSKH-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.83
Rot. Bonds6

About N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 118728437) has the molecular formula C17H15FN2O5S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID118728437
Molecular FormulaC17H15FN2O5S
Molecular Weight378.38 g/mol
Exact Mass378.07
IUPAC NameN-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc3cc(C(=O)NO)sc3c2F)o1
InChIInChI=1S/C17H15FN2O5S/c1-24-8-11-4-5-12(25-11)16(21)19-7-10-3-2-9-6-13(17(22)20-23)26-15(9)14(10)18/h2-6,23H,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyOGTCUGPJWSHSKH-UHFFFAOYSA-N
XLogP2.83
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 118728437) is N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NCc2ccc3cc(C(=O)NO)sc3c2F)o1.
What is the InChIKey of N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is OGTCUGPJWSHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5S/c1-24-8-11-4-5-12(25-11)16(21)19-7-10-3-2-9-6-13(17(22)20-23)26-15(9)14(10)18/h2-6,23H,7-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 118728437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).