N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide

C17H23FN4O3S — CID 8690260

IUPACN-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)(C)C#N
InChIInChI=1S/C17H23FN4O3S/c1-17(2,13-19)20(3)16(23)12-21-8-10-22(11-9-21)26(24,25)15-7-5-4-6-14(15)18/h4-7H,8-12H2,1-3H3
InChIKeyVMBHDDAMRJIEHH-UHFFFAOYSA-N
MW382.46 g/mol
LogP0.89
Rot. Bonds5

About N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide

N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide (PubChem CID 8690260) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
PubChem CID8690260
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC NameN-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)(C)C#N
InChIInChI=1S/C17H23FN4O3S/c1-17(2,13-19)20(3)16(23)12-21-8-10-22(11-9-21)26(24,25)15-7-5-4-6-14(15)18/h4-7H,8-12H2,1-3H3
InChIKeyVMBHDDAMRJIEHH-UHFFFAOYSA-N
XLogP0.89
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide
CID 8692613
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8749292
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8690232
N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 3820684

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide (CID 8690260) is N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)C(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The InChIKey is VMBHDDAMRJIEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-17(2,13-19)20(3)16(23)12-21-8-10-22(11-9-21)26(24,25)15-7-5-4-6-14(15)18/h4-7H,8-12H2,1-3H3.
What are the key properties of N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide has a molecular weight of 382.46 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 8690260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).