N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide

C20H24F2N4O3S — CID 133354657

IUPACN-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)C1
InChIInChI=1S/C20H24F2N4O3S/c1-13(2)20(27)24-16-4-3-7-26(12-16)19-6-5-18(11-23-19)30(28,29)25-17-9-14(21)8-15(22)10-17/h5-6,8-11,13,16,25H,3-4,7,12H2,1-2H3,(H,24,27)
InChIKeyIMZNKEAXPRFNNR-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.90
Rot. Bonds6

About N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide

N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 133354657) has the molecular formula C20H24F2N4O3S and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID133354657
Molecular FormulaC20H24F2N4O3S
Molecular Weight438.50 g/mol
Exact Mass438.15
IUPAC NameN-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)C1
InChIInChI=1S/C20H24F2N4O3S/c1-13(2)20(27)24-16-4-3-7-26(12-16)19-6-5-18(11-23-19)30(28,29)25-17-9-14(21)8-15(22)10-17/h5-6,8-11,13,16,25H,3-4,7,12H2,1-2H3,(H,24,27)
InChIKeyIMZNKEAXPRFNNR-UHFFFAOYSA-N
XLogP2.90
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide (CID 133354657) is N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)C1.
What is the InChIKey of N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is IMZNKEAXPRFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3S/c1-13(2)20(27)24-16-4-3-7-26(12-16)19-6-5-18(11-23-19)30(28,29)25-17-9-14(21)8-15(22)10-17/h5-6,8-11,13,16,25H,3-4,7,12H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 438.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 133354657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).