6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C18H22N2O4S — CID 58157545

IUPAC6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)N1CCc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C18H22N2O4S/c1-10-12(8-15(24-10)18(2,3)4)17(22)20-6-5-11-7-13(16(21)19-23)25-14(11)9-20/h7-8,23H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyXHVOMAMKZXXBQG-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.26
Rot. Bonds2

About 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58157545) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58157545
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)N1CCc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C18H22N2O4S/c1-10-12(8-15(24-10)18(2,3)4)17(22)20-6-5-11-7-13(16(21)19-23)25-14(11)9-20/h7-8,23H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyXHVOMAMKZXXBQG-UHFFFAOYSA-N
XLogP3.26
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
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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Related Compounds

6-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157803
N-hydroxy-6-(5-methyl-1-phenylpyrazole-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157643
N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157601
2-N-hydroxy-6-N-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
CID 90733683
N-hydroxy-6-[2-(3-methylphenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157652
N-hydroxy-6-(6-oxo-1H-pyridine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157748
6-[3-(2-amino-2-oxoethyl)sulfanylthiophene-2-carbonyl]-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157731
2-N-hydroxy-6-N-(5-phenylthiophen-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
CID 58157604
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 110855212
2,5-dimethyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)furan-3-carbohydrazide
CID 7808974
methyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
CID 170560724
5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 58157618

Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 58157545) is 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is Cc1oc(C(C)(C)C)cc1C(=O)N1CCc2cc(C(=O)NO)sc2C1.
What is the InChIKey of 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is XHVOMAMKZXXBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-10-12(8-15(24-10)18(2,3)4)17(22)20-6-5-11-7-13(16(21)19-23)25-14(11)9-20/h7-8,23H,5-6,9H2,1-4H3,(H,19,21).
What are the key properties of 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2-methylfuran-3-carbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).