2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide

C18H16N2O4S — CID 11439694

IUPAC2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3sc(C(=O)NO)cc3c2)cc1
InChIInChI=1S/C18H16N2O4S/c1-24-14-5-2-11(3-6-14)10-19-17(21)12-4-7-15-13(8-12)9-16(25-15)18(22)20-23/h2-9,23H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyFFJOTRGZBMVGIX-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.96
Rot. Bonds5

About 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide

2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide (PubChem CID 11439694) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide
PubChem CID11439694
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3sc(C(=O)NO)cc3c2)cc1
InChIInChI=1S/C18H16N2O4S/c1-24-14-5-2-11(3-6-14)10-19-17(21)12-4-7-15-13(8-12)9-16(25-15)18(22)20-23/h2-9,23H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyFFJOTRGZBMVGIX-UHFFFAOYSA-N
XLogP2.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide (CID 11439694) is 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide is COc1ccc(CNC(=O)c2ccc3sc(C(=O)NO)cc3c2)cc1.
What is the InChIKey of 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide?
The InChIKey is FFJOTRGZBMVGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-14-5-2-11(3-6-14)10-19-17(21)12-4-7-15-13(8-12)9-16(25-15)18(22)20-23/h2-9,23H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide?
2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide is sourced from PubChem (CID 11439694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).