N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide

C20H22FN3O4S2 — CID 46529172

IUPACN'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cc2c(s1)CCC2
InChIInChI=1S/C20H22FN3O4S2/c21-15-6-8-16(9-7-15)30(27,28)24-10-2-4-14(12-24)19(25)22-23-20(26)18-11-13-3-1-5-17(13)29-18/h6-9,11,14H,1-5,10,12H2,(H,22,25)(H,23,26)
InChIKeyQCKFMGXMIKMAFC-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.24
Rot. Bonds4

About N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide

N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 46529172) has the molecular formula C20H22FN3O4S2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide
PubChem CID46529172
Molecular FormulaC20H22FN3O4S2
Molecular Weight451.55 g/mol
Exact Mass451.10
IUPAC NameN'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cc2c(s1)CCC2
InChIInChI=1S/C20H22FN3O4S2/c21-15-6-8-16(9-7-15)30(27,28)24-10-2-4-14(12-24)19(25)22-23-20(26)18-11-13-3-1-5-17(13)29-18/h6-9,11,14H,1-5,10,12H2,(H,22,25)(H,23,26)
InChIKeyQCKFMGXMIKMAFC-UHFFFAOYSA-N
XLogP2.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89239186
N-(4-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926337
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 1446050
N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 3230759
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
N'-(3-piperidin-1-ylsulfonylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26778436
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide
CID 26040079
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3476722
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide (CID 46529172) is N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1cc2c(s1)CCC2.
What is the InChIKey of N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is QCKFMGXMIKMAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S2/c21-15-6-8-16(9-7-15)30(27,28)24-10-2-4-14(12-24)19(25)22-23-20(26)18-11-13-3-1-5-17(13)29-18/h6-9,11,14H,1-5,10,12H2,(H,22,25)(H,23,26).
What are the key properties of N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide?
N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 451.55 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 46529172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).