N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide

C15H17N3O5S2 — CID 9477271

IUPACN'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1
InChIInChI=1S/C15H17N3O5S2/c19-14(16-17-15(20)12-3-1-9-23-12)11-5-7-18(8-6-11)25(21,22)13-4-2-10-24-13/h1-4,9-11H,5-8H2,(H,16,19)(H,17,20)
InChIKeyOKQNULQOUVLUPA-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.20
Rot. Bonds4

About N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide

N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide (PubChem CID 9477271) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
PubChem CID9477271
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC NameN'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1
InChIInChI=1S/C15H17N3O5S2/c19-14(16-17-15(20)12-3-1-9-23-12)11-5-7-18(8-6-11)25(21,22)13-4-2-10-24-13/h1-4,9-11H,5-8H2,(H,16,19)(H,17,20)
InChIKeyOKQNULQOUVLUPA-UHFFFAOYSA-N
XLogP1.20
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 3243073
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9468233
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55548927
N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9141771
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide (CID 9477271) is N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1.
What is the InChIKey of N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
The InChIKey is OKQNULQOUVLUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c19-14(16-17-15(20)12-3-1-9-23-12)11-5-7-18(8-6-11)25(21,22)13-4-2-10-24-13/h1-4,9-11H,5-8H2,(H,16,19)(H,17,20).
What are the key properties of N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide has a molecular weight of 383.45 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 9477271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).