4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

C146H168F13N35O24S11 — CID 159669525

IUPAC4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESC#Cc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)cc1.C#Cc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3cnns3)CC2)cc1.C#Cc1cccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.CC(F)(F)c1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3cnns3)CC2)cc1.Cc1cc(F)cc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cn1cc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c(C(F)F)n1.Cn1cccc1S(=O)(=O)C(C)(F)C1CCN(C(=O)Nc2cnns2)CC1
InChIInChI=1S/2C20H21FN4O3S.C19H22F2N4O3S.C19H23FN4O3S.C18H21F3N4O3S2.C18H19FN4O3S2.C17H21F3N6O3S.C15H20FN5O3S2/c1-3-15-4-6-18(7-5-15)29(27,28)20(2,21)16-9-12-25(13-10-16)19(26)24-17-8-11-22-23-14-17;1-3-15-5-4-6-18(13-15)29(27,28)20(2,21)16-8-11-25(12-9-16)19(26)24-17-7-10-22-23-14-17;1-13-9-15(20)11-17(10-13)29(27,28)19(2,21)14-4-7-25(8-5-14)18(26)24-16-3-6-22-23-12-16;1-14-4-3-5-17(12-14)28(26,27)19(2,20)15-7-10-24(11-8-15)18(25)23-16-6-9-21-22-13-16;1-17(19,20)12-3-5-14(6-4-12)30(27,28)18(2,21)13-7-9-25(10-8-13)16(26)23-15-11-22-24-29-15;1-3-13-4-6-15(7-5-13)28(25,26)18(2,19)14-8-10-23(11-9-14)17(24)21-16-12-20-22-27-16;1-17(20,30(28,29)13-10-25(2)24-14(13)15(18)19)11-4-7-26(8-5-11)16(27)23-12-3-6-21-22-9-12;1-15(16,26(23,24)13-4-3-7-20(13)2)11-5-8-21(9-6-11)14(22)18-12-10-17-19-25-12/h1,4-8,11,14,16H,9-10,12-13H2,2H3,(H,22,24,26);1,4-7,10,13-14,16H,8-9,11-12H2,2H3,(H,22,24,26);3,6,9-12,14H,4-5,7-8H2,1-2H3,(H,22,24,26);3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,21,23,25);3-6,11,13H,7-10H2,1-2H3,(H,23,26);1,4-7,12,14H,8-11H2,2H3,(H,21,24);3,6,9-11,15H,4-5,7-8H2,1-2H3,(H,21,23,27);3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,22)
InChIKeyMTVAJNKCLZSRSB-UHFFFAOYSA-N
MW3396.88 g/mol
LogP24.05
Rot. Bonds34

About 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 159669525) has the molecular formula C146H168F13N35O24S11 and a molecular weight of 3396.88 g/mol. Its IUPAC name is 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID159669525
Molecular FormulaC146H168F13N35O24S11
Molecular Weight3396.88 g/mol
Exact Mass3393.97
IUPAC Name4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESC#Cc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)cc1.C#Cc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3cnns3)CC2)cc1.C#Cc1cccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.CC(F)(F)c1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3cnns3)CC2)cc1.Cc1cc(F)cc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cn1cc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c(C(F)F)n1.Cn1cccc1S(=O)(=O)C(C)(F)C1CCN(C(=O)Nc2cnns2)CC1
InChIInChI=1S/2C20H21FN4O3S.C19H22F2N4O3S.C19H23FN4O3S.C18H21F3N4O3S2.C18H19FN4O3S2.C17H21F3N6O3S.C15H20FN5O3S2/c1-3-15-4-6-18(7-5-15)29(27,28)20(2,21)16-9-12-25(13-10-16)19(26)24-17-8-11-22-23-14-17;1-3-15-5-4-6-18(13-15)29(27,28)20(2,21)16-8-11-25(12-9-16)19(26)24-17-7-10-22-23-14-17;1-13-9-15(20)11-17(10-13)29(27,28)19(2,21)14-4-7-25(8-5-14)18(26)24-16-3-6-22-23-12-16;1-14-4-3-5-17(12-14)28(26,27)19(2,20)15-7-10-24(11-8-15)18(25)23-16-6-9-21-22-13-16;1-17(19,20)12-3-5-14(6-4-12)30(27,28)18(2,21)13-7-9-25(10-8-13)16(26)23-15-11-22-24-29-15;1-3-13-4-6-15(7-5-13)28(25,26)18(2,19)14-8-10-23(11-9-14)17(24)21-16-12-20-22-27-16;1-17(20,30(28,29)13-10-25(2)24-14(13)15(18)19)11-4-7-26(8-5-11)16(27)23-12-3-6-21-22-9-12;1-15(16,26(23,24)13-4-3-7-20(13)2)11-5-8-21(9-6-11)14(22)18-12-10-17-19-25-12/h1,4-8,11,14,16H,9-10,12-13H2,2H3,(H,22,24,26);1,4-7,10,13-14,16H,8-9,11-12H2,2H3,(H,22,24,26);3,6,9-12,14H,4-5,7-8H2,1-2H3,(H,22,24,26);3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,21,23,25);3-6,11,13H,7-10H2,1-2H3,(H,23,26);1,4-7,12,14H,8-11H2,2H3,(H,21,24);3,6,9-11,15H,4-5,7-8H2,1-2H3,(H,21,23,27);3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,22)
InChIKeyMTVAJNKCLZSRSB-UHFFFAOYSA-N
XLogP24.05
TPSA760.83 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds34
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003396.88
LogP ≤ 524.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (CID 159669525) is 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is C#Cc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)cc1.C#Cc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3cnns3)CC2)cc1.C#Cc1cccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.CC(F)(F)c1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3cnns3)CC2)cc1.Cc1cc(F)cc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cn1cc(S(=O)(=O)C(C)(F)C2CCN(C(=O)Nc3ccnnc3)CC2)c(C(F)F)n1.Cn1cccc1S(=O)(=O)C(C)(F)C1CCN(C(=O)Nc2cnns2)CC1.
What is the InChIKey of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is MTVAJNKCLZSRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H21FN4O3S.C19H22F2N4O3S.C19H23FN4O3S.C18H21F3N4O3S2.C18H19FN4O3S2.C17H21F3N6O3S.C15H20FN5O3S2/c1-3-15-4-6-18(7-5-15)29(27,28)20(2,21)16-9-12-25(13-10-16)19(26)24-17-8-11-22-23-14-17;1-3-15-5-4-6-18(13-15)29(27,28)20(2,21)16-8-11-25(12-9-16)19(26)24-17-7-10-22-23-14-17;1-13-9-15(20)11-17(10-13)29(27,28)19(2,21)14-4-7-25(8-5-14)18(26)24-16-3-6-22-23-12-16;1-14-4-3-5-17(12-14)28(26,27)19(2,20)15-7-10-24(11-8-15)18(25)23-16-6-9-21-22-13-16;1-17(19,20)12-3-5-14(6-4-12)30(27,28)18(2,21)13-7-9-25(10-8-13)16(26)23-15-11-22-24-29-15;1-3-13-4-6-15(7-5-13)28(25,26)18(2,19)14-8-10-23(11-9-14)17(24)21-16-12-20-22-27-16;1-17(20,30(28,29)13-10-25(2)24-14(13)15(18)19)11-4-7-26(8-5-11)16(27)23-12-3-6-21-22-9-12;1-15(16,26(23,24)13-4-3-7-20(13)2)11-5-8-21(9-6-11)14(22)18-12-10-17-19-25-12/h1,4-8,11,14,16H,9-10,12-13H2,2H3,(H,22,24,26);1,4-7,10,13-14,16H,8-9,11-12H2,2H3,(H,22,24,26);3,6,9-12,14H,4-5,7-8H2,1-2H3,(H,22,24,26);3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,21,23,25);3-6,11,13H,7-10H2,1-2H3,(H,23,26);1,4-7,12,14H,8-11H2,2H3,(H,21,24);3,6,9-11,15H,4-5,7-8H2,1-2H3,(H,21,23,27);3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,22).
What are the key properties of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 3396.88 g/mol, XLogP of 24.05, 34 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(4-ethynylphenyl)sulfonyl-1-fluoroethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-fluoro-5-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-fluoro-1-(1-methylpyrrol-2-yl)sulfonylethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 159669525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).