N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide

C17H21F2N3O2S — CID 49230244

IUPACN-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(Cc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C17H21F2N3O2S/c18-17(19)25-14-5-1-12(2-6-14)11-21-7-9-22(10-8-21)16(24)15(23)20-13-3-4-13/h1-2,5-6,13,17H,3-4,7-11H2,(H,20,23)
InChIKeyYKXNJADQSFRANS-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.92
Rot. Bonds5

About N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 49230244) has the molecular formula C17H21F2N3O2S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID49230244
Molecular FormulaC17H21F2N3O2S
Molecular Weight369.44 g/mol
Exact Mass369.13
IUPAC NameN-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(Cc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C17H21F2N3O2S/c18-17(19)25-14-5-1-12(2-6-14)11-21-7-9-22(10-8-21)16(24)15(23)20-13-3-4-13/h1-2,5-6,13,17H,3-4,7-11H2,(H,20,23)
InChIKeyYKXNJADQSFRANS-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55741672
[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 49229106
N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 94801163
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(difluoromethylsulfanyl)phenyl]methanone
CID 55685327
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735068
2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 47280168
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 51081913
N-cyclopropyl-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoacetamide
CID 78881404
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide (CID 49230244) is N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide is O=C(NC1CC1)C(=O)N1CCN(Cc2ccc(SC(F)F)cc2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is YKXNJADQSFRANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2S/c18-17(19)25-14-5-1-12(2-6-14)11-21-7-9-22(10-8-21)16(24)15(23)20-13-3-4-13/h1-2,5-6,13,17H,3-4,7-11H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide?
N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 369.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 49230244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).