N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide

C24H24F2N4O4S — CID 46084520

IUPACN-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nc1
InChIInChI=1S/C24H24F2N4O4S/c1-2-34-22-6-4-3-5-21(22)24(31)28-19-7-8-23(27-16-19)29-9-11-30(12-10-29)35(32,33)20-14-17(25)13-18(26)15-20/h3-8,13-16H,2,9-12H2,1H3,(H,28,31)
InChIKeyAMSHVULREXMSKM-UHFFFAOYSA-N
MW502.54 g/mol
LogP3.52
Rot. Bonds7

About N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide

N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide (PubChem CID 46084520) has the molecular formula C24H24F2N4O4S and a molecular weight of 502.54 g/mol. Its IUPAC name is N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide
PubChem CID46084520
Molecular FormulaC24H24F2N4O4S
Molecular Weight502.54 g/mol
Exact Mass502.15
IUPAC NameN-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nc1
InChIInChI=1S/C24H24F2N4O4S/c1-2-34-22-6-4-3-5-21(22)24(31)28-19-7-8-23(27-16-19)29-9-11-30(12-10-29)35(32,33)20-14-17(25)13-18(26)15-20/h3-8,13-16H,2,9-12H2,1H3,(H,28,31)
InChIKeyAMSHVULREXMSKM-UHFFFAOYSA-N
XLogP3.52
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bitopertin
CID 24946690
rac-[5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[4-(5-trifluoromethylpyridin-2-yl)-piperazin-1-yl]-methanone
CID 46839300
Bitopertin R enantiomer
CID 49798777
2-Methoxy-N-(4-methyl-6-propionylamino-pyridin-3-yl)-benzamide
CID 644882
2-Methoxy-N-(6-pentanoylamino-pyridin-3-yl)-benzamide
CID 655705
Cambridge id 6931956
CID 1324776
2-methoxy-N-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 1449435
N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 2432318
4-methoxy-N-{4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]benzyl}benzenesulfonamide
CID 3241872
2-Ethoxy-N-(4-{[2-(pyridin-3-YL)piperidin-1-YL]sulfonyl}phenyl)benzamide
CID 3622154
(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide
CID 4882340

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide?
The IUPAC name of N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide (CID 46084520) is N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide?
The canonical SMILES for N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nc1.
What is the InChIKey of N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide?
The InChIKey is AMSHVULREXMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4S/c1-2-34-22-6-4-3-5-21(22)24(31)28-19-7-8-23(27-16-19)29-9-11-30(12-10-29)35(32,33)20-14-17(25)13-18(26)15-20/h3-8,13-16H,2,9-12H2,1H3,(H,28,31).
What are the key properties of N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide?
N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide has a molecular weight of 502.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-ethoxybenzamide is sourced from PubChem (CID 46084520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).