5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C18H22N2O3S — CID 58157618

IUPAC5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C18H22N2O3S/c21-16(19-23)14-4-13-8-20(9-15(13)24-14)17(22)18-5-10-1-11(6-18)3-12(2-10)7-18/h4,10-12,23H,1-3,5-9H2,(H,19,21)
InChIKeyFWQJDTOCPHNUAF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.93
Rot. Bonds2

About 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 58157618) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID58157618
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C18H22N2O3S/c21-16(19-23)14-4-13-8-20(9-15(13)24-14)17(22)18-5-10-1-11(6-18)3-12(2-10)7-18/h4,10-12,23H,1-3,5-9H2,(H,19,21)
InChIKeyFWQJDTOCPHNUAF-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 58157618) is 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is O=C(NO)c1cc2c(s1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is FWQJDTOCPHNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-16(19-23)14-4-13-8-20(9-15(13)24-14)17(22)18-5-10-1-11(6-18)3-12(2-10)7-18/h4,10-12,23H,1-3,5-9H2,(H,19,21).
What are the key properties of 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(adamantane-1-carbonyl)-N-hydroxy-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 58157618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).