2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide

C22H23FN4O3S — CID 16593788

IUPAC2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O3S/c23-18-7-5-16(6-8-18)21(22(28)25-19-9-10-19)26-11-13-27(14-12-26)31(29,30)20-4-2-1-3-17(20)15-24/h1-8,19,21H,9-14H2,(H,25,28)
InChIKeyKVWHDLYFYGEQHO-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide (PubChem CID 16593788) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
PubChem CID16593788
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O3S/c23-18-7-5-16(6-8-18)21(22(28)25-19-9-10-19)26-11-13-27(14-12-26)31(29,30)20-4-2-1-3-17(20)15-24/h1-8,19,21H,9-14H2,(H,25,28)
InChIKeyKVWHDLYFYGEQHO-UHFFFAOYSA-N
XLogP2.02
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16593824
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9036697
N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 16593609
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
CID 8559474
2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822354
(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9038052
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
2-[4-(1-cyclopropylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110708874
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9286693
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
tert-butyl N-[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbamate
CID 55736897
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide (CID 16593788) is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide is N#Cc1ccccc1S(=O)(=O)N1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The InChIKey is KVWHDLYFYGEQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c23-18-7-5-16(6-8-18)21(22(28)25-19-9-10-19)26-11-13-27(14-12-26)31(29,30)20-4-2-1-3-17(20)15-24/h1-8,19,21H,9-14H2,(H,25,28).
What are the key properties of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16593788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).