N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide

C18H20FN3O4S2 — CID 46521967

IUPACN'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NNC(=O)c3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H20FN3O4S2/c1-12-4-9-16(27-12)28(25,26)22-10-2-3-14(11-22)18(24)21-20-17(23)13-5-7-15(19)8-6-13/h4-9,14H,2-3,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeySYCVEOFFRRKROV-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.06
Rot. Bonds4

About N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide

N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 46521967) has the molecular formula C18H20FN3O4S2 and a molecular weight of 425.51 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
PubChem CID46521967
Molecular FormulaC18H20FN3O4S2
Molecular Weight425.51 g/mol
Exact Mass425.09
IUPAC NameN'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NNC(=O)c3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H20FN3O4S2/c1-12-4-9-16(27-12)28(25,26)22-10-2-3-14(11-22)18(24)21-20-17(23)13-5-7-15(19)8-6-13/h4-9,14H,2-3,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeySYCVEOFFRRKROV-UHFFFAOYSA-N
XLogP2.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylfuran-3-carbonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
CID 55527745
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641567
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119454013
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 1446050
N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 3230759
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43073783
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide (CID 46521967) is N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NNC(=O)c3ccc(F)cc3)C2)s1.
What is the InChIKey of N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is SYCVEOFFRRKROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S2/c1-12-4-9-16(27-12)28(25,26)22-10-2-3-14(11-22)18(24)21-20-17(23)13-5-7-15(19)8-6-13/h4-9,14H,2-3,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide?
N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 425.51 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 46521967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).