2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide

C168H145F16N33O11S9 — CID 157211973

IUPAC2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide
SMILESCC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccccc1.CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1-c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.CN(C(=O)C(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccccc2)C1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2ccccc2)C1.O=C(Nc1ccccc1)C(SC1=NN=C(c2ccccc2)C1)C(F)(F)F.O=C(Nc1ccccc1)C(Sc1nnc(-c2ccccc2)n1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C24H19F3N4OS.C20H22N4O2S.C19H16F2N4O2S.C18H14F3N3OS.C18H16F2N4OS.C18H17FN4OS.C17H14F2N4OS.C17H13F2N3OS.C17H14FN3OS/c25-24(26,27)20(22(32)28-19-14-8-3-9-15-19)33-23-30-29-21(18-12-6-2-7-13-18)31(23)16-17-10-4-1-5-11-17;1-3-24-18(15-10-6-4-7-11-15)22-23-20(24)27-17(14-26-2)19(25)21-16-12-8-5-9-13-16;1-13(26)25-16(14-9-5-3-6-10-14)22-23-18(25)28-19(20,21)17(27)24(2)15-11-7-4-8-12-15;19-18(20,21)16(17(25)22-13-9-5-2-6-10-13)26-15-11-14(23-24-15)12-7-3-1-4-8-12;1-23(14-11-7-4-8-12-14)16(25)18(19,20)26-17-22-21-15(24(17)2)13-9-5-3-6-10-13;1-22(14-11-7-4-8-12-14)17(24)15(19)25-18-21-20-16(23(18)2)13-9-5-3-6-10-13;1-23-14(12-8-4-2-5-9-12)21-22-16(23)25-17(18,19)15(24)20-13-10-6-3-7-11-13;18-17(19,16(23)20-13-9-5-2-6-10-13)24-15-11-14(21-22-15)12-7-3-1-4-8-12;18-16(17(22)19-13-9-5-2-6-10-13)23-15-11-14(20-21-15)12-7-3-1-4-8-12/h1-15,20H,16H2,(H,28,32);4-13,17H,3,14H2,1-2H3,(H,21,25);3-12H,1-2H3;1-10,16H,11H2,(H,22,25);3-12H,1-2H3;3-12,15H,1-2H3;2-11H,1H3,(H,20,24);1-10H,11H2,(H,20,23);1-10,16H,11H2,(H,19,22)
InChIKeyARZNDIMCOBBDQF-UHFFFAOYSA-N
MW3394.80 g/mol
LogP37.00
Rot. Bonds47

About 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide

2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide (PubChem CID 157211973) has the molecular formula C168H145F16N33O11S9 and a molecular weight of 3394.80 g/mol. Its IUPAC name is 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide
PubChem CID157211973
Molecular FormulaC168H145F16N33O11S9
Molecular Weight3394.80 g/mol
Exact Mass3391.90
IUPAC Name2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide
SMILESCC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccccc1.CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1-c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.CN(C(=O)C(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccccc2)C1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2ccccc2)C1.O=C(Nc1ccccc1)C(SC1=NN=C(c2ccccc2)C1)C(F)(F)F.O=C(Nc1ccccc1)C(Sc1nnc(-c2ccccc2)n1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C24H19F3N4OS.C20H22N4O2S.C19H16F2N4O2S.C18H14F3N3OS.C18H16F2N4OS.C18H17FN4OS.C17H14F2N4OS.C17H13F2N3OS.C17H14FN3OS/c25-24(26,27)20(22(32)28-19-14-8-3-9-15-19)33-23-30-29-21(18-12-6-2-7-13-18)31(23)16-17-10-4-1-5-11-17;1-3-24-18(15-10-6-4-7-11-15)22-23-20(24)27-17(14-26-2)19(25)21-16-12-8-5-9-13-16;1-13(26)25-16(14-9-5-3-6-10-14)22-23-18(25)28-19(20,21)17(27)24(2)15-11-7-4-8-12-15;19-18(20,21)16(17(25)22-13-9-5-2-6-10-13)26-15-11-14(23-24-15)12-7-3-1-4-8-12;1-23(14-11-7-4-8-12-14)16(25)18(19,20)26-17-22-21-15(24(17)2)13-9-5-3-6-10-13;1-22(14-11-7-4-8-12-14)17(24)15(19)25-18-21-20-16(23(18)2)13-9-5-3-6-10-13;1-23-14(12-8-4-2-5-9-12)21-22-16(23)25-17(18,19)15(24)20-13-10-6-3-7-11-13;18-17(19,16(23)20-13-9-5-2-6-10-13)24-15-11-14(21-22-15)12-7-3-1-4-8-12;18-16(17(22)19-13-9-5-2-6-10-13)23-15-11-14(20-21-15)12-7-3-1-4-8-12/h1-15,20H,16H2,(H,28,32);4-13,17H,3,14H2,1-2H3,(H,21,25);3-12H,1-2H3;1-10,16H,11H2,(H,22,25);3-12H,1-2H3;3-12,15H,1-2H3;2-11H,1H3,(H,20,24);1-10H,11H2,(H,20,23);1-10,16H,11H2,(H,19,22)
InChIKeyARZNDIMCOBBDQF-UHFFFAOYSA-N
XLogP37.00
TPSA520.25 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds47
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003394.80
LogP ≤ 537.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide?
The IUPAC name of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide (CID 157211973) is 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide is CC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccccc1.CCn1c(SC(COC)C(=O)Nc2ccccc2)nnc1-c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.CN(C(=O)C(F)Sc1nnc(-c2ccccc2)n1C)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccccc2)C1.O=C(Nc1ccccc1)C(F)SC1=NN=C(c2ccccc2)C1.O=C(Nc1ccccc1)C(SC1=NN=C(c2ccccc2)C1)C(F)(F)F.O=C(Nc1ccccc1)C(Sc1nnc(-c2ccccc2)n1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide?
The InChIKey is ARZNDIMCOBBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4OS.C20H22N4O2S.C19H16F2N4O2S.C18H14F3N3OS.C18H16F2N4OS.C18H17FN4OS.C17H14F2N4OS.C17H13F2N3OS.C17H14FN3OS/c25-24(26,27)20(22(32)28-19-14-8-3-9-15-19)33-23-30-29-21(18-12-6-2-7-13-18)31(23)16-17-10-4-1-5-11-17;1-3-24-18(15-10-6-4-7-11-15)22-23-20(24)27-17(14-26-2)19(25)21-16-12-8-5-9-13-16;1-13(26)25-16(14-9-5-3-6-10-14)22-23-18(25)28-19(20,21)17(27)24(2)15-11-7-4-8-12-15;19-18(20,21)16(17(25)22-13-9-5-2-6-10-13)26-15-11-14(23-24-15)12-7-3-1-4-8-12;1-23(14-11-7-4-8-12-14)16(25)18(19,20)26-17-22-21-15(24(17)2)13-9-5-3-6-10-13;1-22(14-11-7-4-8-12-14)17(24)15(19)25-18-21-20-16(23(18)2)13-9-5-3-6-10-13;1-23-14(12-8-4-2-5-9-12)21-22-16(23)25-17(18,19)15(24)20-13-10-6-3-7-11-13;18-17(19,16(23)20-13-9-5-2-6-10-13)24-15-11-14(21-22-15)12-7-3-1-4-8-12;18-16(17(22)19-13-9-5-2-6-10-13)23-15-11-14(20-21-15)12-7-3-1-4-8-12/h1-15,20H,16H2,(H,28,32);4-13,17H,3,14H2,1-2H3,(H,21,25);3-12H,1-2H3;1-10,16H,11H2,(H,22,25);3-12H,1-2H3;3-12,15H,1-2H3;2-11H,1H3,(H,20,24);1-10H,11H2,(H,20,23);1-10,16H,11H2,(H,19,22).
What are the key properties of 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide?
2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide has a molecular weight of 3394.80 g/mol, XLogP of 37.00, 47 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 157211973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).