5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide

C19H18N2O4S — CID 58157691

IUPAC5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC1(C)CN(C(=O)c2cc3ccccc3o2)Cc2cc(C(=O)NO)sc21
InChIInChI=1S/C19H18N2O4S/c1-19(2)10-21(9-12-8-15(17(22)20-24)26-16(12)19)18(23)14-7-11-5-3-4-6-13(11)25-14/h3-8,24H,9-10H2,1-2H3,(H,20,22)
InChIKeyJRBUGZAETKQUJK-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.55
Rot. Bonds2

About 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide

5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 58157691) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
PubChem CID58157691
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCC1(C)CN(C(=O)c2cc3ccccc3o2)Cc2cc(C(=O)NO)sc21
InChIInChI=1S/C19H18N2O4S/c1-19(2)10-21(9-12-8-15(17(22)20-24)26-16(12)19)18(23)14-7-11-5-3-4-6-13(11)25-14/h3-8,24H,9-10H2,1-2H3,(H,20,22)
InChIKeyJRBUGZAETKQUJK-UHFFFAOYSA-N
XLogP3.55
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.55
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'}

Analyze 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
CID 58157728
N-hydroxy-7,7-dimethyl-5-(quinolin-2-ylmethyl)-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
CID 87208707
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 167853128

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide (CID 58157691) is 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide is CC1(C)CN(C(=O)c2cc3ccccc3o2)Cc2cc(C(=O)NO)sc21.
What is the InChIKey of 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is JRBUGZAETKQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-19(2)10-21(9-12-8-15(17(22)20-24)26-16(12)19)18(23)14-7-11-5-3-4-6-13(11)25-14/h3-8,24H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide?
5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-carbonyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 58157691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).