N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide

C20H22FN3O4S — CID 26070513

IUPACN-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O4S/c1-15(25)22-18-6-8-20(9-7-18)29(26,27)24-12-10-19(11-13-24)23-28-14-16-2-4-17(21)5-3-16/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyRMIDPCSPEFSUOS-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.14
Rot. Bonds6

About N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 26070513) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID26070513
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC NameN-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O4S/c1-15(25)22-18-6-8-20(9-7-18)29(26,27)24-12-10-19(11-13-24)23-28-14-16-2-4-17(21)5-3-16/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyRMIDPCSPEFSUOS-UHFFFAOYSA-N
XLogP3.14
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 4150837
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-[4-[[5-[(4-fluorophenyl)methylamino]-1,4,9-triazaspiro[5.5]undec-4-en-9-yl]sulfonyl]phenyl]acetamide;hydrochloride
CID 146063082
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide (CID 26070513) is N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RMIDPCSPEFSUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-15(25)22-18-6-8-20(9-7-18)29(26,27)24-12-10-19(11-13-24)23-28-14-16-2-4-17(21)5-3-16/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 26070513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).