N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide

C17H15N3O5S — CID 11417445

IUPACN-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)c(OC)n1
InChIInChI=1S/C17H15N3O5S/c1-24-14-6-4-11(17(19-14)25-2)15(21)18-10-3-5-12-9(7-10)8-13(26-12)16(22)20-23/h3-8,23H,1-2H3,(H,18,21)(H,20,22)
InChIKeySOLQINIQGZAJKD-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide

N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 11417445) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID11417445
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)c(OC)n1
InChIInChI=1S/C17H15N3O5S/c1-24-14-6-4-11(17(19-14)25-2)15(21)18-10-3-5-12-9(7-10)8-13(26-12)16(22)20-23/h3-8,23H,1-2H3,(H,18,21)(H,20,22)
InChIKeySOLQINIQGZAJKD-UHFFFAOYSA-N
XLogP2.68
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11855386
methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131909771
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
ethyl 6-[(2-ethoxycarbonyl-1-benzothiophen-5-yl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632477
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131888846
methyl 5-[[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 28560733
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
N-(2-aminophenyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 68697079
ethyl 5-[(5-bromopyridine-3-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 46404715
N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 35348384
methyl 5-[(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 92648749

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide (CID 11417445) is N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)c(OC)n1.
What is the InChIKey of N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is SOLQINIQGZAJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-24-14-6-4-11(17(19-14)25-2)15(21)18-10-3-5-12-9(7-10)8-13(26-12)16(22)20-23/h3-8,23H,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxycarbamoyl)-1-benzothiophen-5-yl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 11417445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).