N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide

C18H23N3O5S2 — CID 55527745

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c(C)o1
InChIInChI=1S/C18H23N3O5S2/c1-11-9-15(13(3)26-11)18(23)20-19-17(22)14-5-4-8-21(10-14)28(24,25)16-7-6-12(2)27-16/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAYSRMWHYYMKUCY-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.13
Rot. Bonds4

About N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 55527745) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
PubChem CID55527745
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c(C)o1
InChIInChI=1S/C18H23N3O5S2/c1-11-9-15(13(3)26-11)18(23)20-19-17(22)14-5-4-8-21(10-14)28(24,25)16-7-6-12(2)27-16/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAYSRMWHYYMKUCY-UHFFFAOYSA-N
XLogP2.13
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.13
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

(3S)-N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084948
N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
CID 46521967
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9468233
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119454013
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone;hydrochloride
CID 119651942
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide (CID 55527745) is N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is AYSRMWHYYMKUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-11-9-15(13(3)26-11)18(23)20-19-17(22)14-5-4-8-21(10-14)28(24,25)16-7-6-12(2)27-16/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 425.53 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 55527745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).