N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C77H74F8N8O10S6 — CID 160770777

IUPACN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESC=C1CC(c2ccc(S(=O)(=O)N(CCCCC(F)(F)F)c3sc4ccccc4c3C)cc2)=NN1.CCCc1cn(-c2ccc(S(=O)(=O)N(Cc3ccc(OC(F)(F)F)cc3)c3sc4ccccc4c3C)cc2)cn1.Cc1c(N(Cc2ccc(OC(C)(F)F)cc2)S(=O)(=O)CCCC2=NOC(=O)C2)sc2ccccc12
InChIInChI=1S/C29H26F3N3O3S2.C24H24F3N3O2S2.C24H24F2N2O5S2/c1-3-6-22-18-34(19-33-22)23-11-15-25(16-12-23)40(36,37)35(28-20(2)26-7-4-5-8-27(26)39-28)17-21-9-13-24(14-10-21)38-29(30,31)32;1-16-15-21(29-28-16)18-9-11-19(12-10-18)34(31,32)30(14-6-5-13-24(25,26)27)23-17(2)20-7-3-4-8-22(20)33-23;1-16-20-7-3-4-8-21(20)34-23(16)28(15-17-9-11-19(12-10-17)32-24(2,25)26)35(30,31)13-5-6-18-14-22(29)33-27-18/h4-5,7-16,18-19H,3,6,17H2,1-2H3;3-4,7-12,28H,1,5-6,13-15H2,2H3;3-4,7-12H,5-6,13-15H2,1-2H3
InChIKeyRZHBFBMPKTYRIV-UHFFFAOYSA-N
MW1615.87 g/mol
LogP19.61
Rot. Bonds27

About N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 160770777) has the molecular formula C77H74F8N8O10S6 and a molecular weight of 1615.87 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID160770777
Molecular FormulaC77H74F8N8O10S6
Molecular Weight1615.87 g/mol
Exact Mass1614.37
IUPAC NameN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESC=C1CC(c2ccc(S(=O)(=O)N(CCCCC(F)(F)F)c3sc4ccccc4c3C)cc2)=NN1.CCCc1cn(-c2ccc(S(=O)(=O)N(Cc3ccc(OC(F)(F)F)cc3)c3sc4ccccc4c3C)cc2)cn1.Cc1c(N(Cc2ccc(OC(C)(F)F)cc2)S(=O)(=O)CCCC2=NOC(=O)C2)sc2ccccc12
InChIInChI=1S/C29H26F3N3O3S2.C24H24F3N3O2S2.C24H24F2N2O5S2/c1-3-6-22-18-34(19-33-22)23-11-15-25(16-12-23)40(36,37)35(28-20(2)26-7-4-5-8-27(26)39-28)17-21-9-13-24(14-10-21)38-29(30,31)32;1-16-15-21(29-28-16)18-9-11-19(12-10-18)34(31,32)30(14-6-5-13-24(25,26)27)23-17(2)20-7-3-4-8-22(20)33-23;1-16-20-7-3-4-8-21(20)34-23(16)28(15-17-9-11-19(12-10-17)32-24(2,25)26)35(30,31)13-5-6-18-14-22(29)33-27-18/h4-5,7-16,18-19H,3,6,17H2,1-2H3;3-4,7-12,28H,1,5-6,13-15H2,2H3;3-4,7-12H,5-6,13-15H2,1-2H3
InChIKeyRZHBFBMPKTYRIV-UHFFFAOYSA-N
XLogP19.61
TPSA211.47 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.87
LogP ≤ 519.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;4-[[4-(1,1-difluoroethoxy)phenyl]methyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl]butanoic acid;4-[[4-(1,1-difluoroethoxy)phenyl]methyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl]-2,5-difluorobenzoic acid;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 157302637
N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(1H-1,2,4-triazol-5-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide
CID 159865317
N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide
CID 161344490

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 160770777) is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is C=C1CC(c2ccc(S(=O)(=O)N(CCCCC(F)(F)F)c3sc4ccccc4c3C)cc2)=NN1.CCCc1cn(-c2ccc(S(=O)(=O)N(Cc3ccc(OC(F)(F)F)cc3)c3sc4ccccc4c3C)cc2)cn1.Cc1c(N(Cc2ccc(OC(C)(F)F)cc2)S(=O)(=O)CCCC2=NOC(=O)C2)sc2ccccc12.
What is the InChIKey of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is RZHBFBMPKTYRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N3O3S2.C24H24F3N3O2S2.C24H24F2N2O5S2/c1-3-6-22-18-34(19-33-22)23-11-15-25(16-12-23)40(36,37)35(28-20(2)26-7-4-5-8-27(26)39-28)17-21-9-13-24(14-10-21)38-29(30,31)32;1-16-15-21(29-28-16)18-9-11-19(12-10-18)34(31,32)30(14-6-5-13-24(25,26)27)23-17(2)20-7-3-4-8-22(20)33-23;1-16-20-7-3-4-8-21(20)34-23(16)28(15-17-9-11-19(12-10-17)32-24(2,25)26)35(30,31)13-5-6-18-14-22(29)33-27-18/h4-5,7-16,18-19H,3,6,17H2,1-2H3;3-4,7-12,28H,1,5-6,13-15H2,2H3;3-4,7-12H,5-6,13-15H2,1-2H3.
What are the key properties of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 1615.87 g/mol, XLogP of 19.61, 27 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-3-(5-oxo-4H-1,2-oxazol-3-yl)propane-1-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,4-dihydropyrazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 160770777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).