N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide

C16H24F2N4O4S — CID 46596245

IUPACN-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H24F2N4O4S/c1-12(21-8-10-22(11-9-21)27(24,25)20(2)3)15(23)19-13-6-4-5-7-14(13)26-16(17)18/h4-7,12,16H,8-11H2,1-3H3,(H,19,23)
InChIKeyOSKKADKPNIIPFI-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.04
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide

N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide (PubChem CID 46596245) has the molecular formula C16H24F2N4O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
PubChem CID46596245
Molecular FormulaC16H24F2N4O4S
Molecular Weight406.46 g/mol
Exact Mass406.15
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H24F2N4O4S/c1-12(21-8-10-22(11-9-21)27(24,25)20(2)3)15(23)19-13-6-4-5-7-14(13)26-16(17)18/h4-7,12,16H,8-11H2,1-3H3,(H,19,23)
InChIKeyOSKKADKPNIIPFI-UHFFFAOYSA-N
XLogP1.04
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612
N-[2-(difluoromethoxy)phenyl]-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46630855
N-(2,5-dimethoxyphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 43061865
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42888082
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9493947

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide (CID 46596245) is N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1OC(F)F)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The InChIKey is OSKKADKPNIIPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O4S/c1-12(21-8-10-22(11-9-21)27(24,25)20(2)3)15(23)19-13-6-4-5-7-14(13)26-16(17)18/h4-7,12,16H,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide has a molecular weight of 406.46 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46596245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).