2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone

C89H85F3N11O9S4+ — CID 162039169

IUPAC2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
SMILESCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.COc1ccc(-c2cc(C(F)(F)F)[n+]3[nH]c(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(OC)c(N(CC(=O)Cc2cccnc2)S(=O)(=O)c2ccccc2)c1.O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C26H23N3O.C22H22N2O5S.C21H20N2OS3.C20H19F3N4O2/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19;1-28-19-10-11-22(29-2)21(14-19)24(30(26,27)20-8-4-3-5-9-20)16-18(25)13-17-7-6-12-23-15-17;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-29-14-7-5-13(6-8-14)15-11-17(20(21,22)23)27-18(24-15)12-16(25-27)19(28)26-9-3-2-4-10-26/h1-2,4-7,10-15,18H,3,8-9,16-17H2;3-12,14-15H,13,16H2,1-2H3;4-11,13H,2-3,12,22H2,1H3;5-8,11-12H,2-4,9-10H2,1H3/p+1
InChIKeyZOCFOTKLKBYPCM-UHFFFAOYSA-O
MW1637.99 g/mol
LogP18.35
Rot. Bonds21

About 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone

2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone (PubChem CID 162039169) has the molecular formula C89H85F3N11O9S4+ and a molecular weight of 1637.99 g/mol. Its IUPAC name is 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
PubChem CID162039169
Molecular FormulaC89H85F3N11O9S4+
Molecular Weight1637.99 g/mol
Exact Mass1636.54
IUPAC Name2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
SMILESCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.COc1ccc(-c2cc(C(F)(F)F)[n+]3[nH]c(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(OC)c(N(CC(=O)Cc2cccnc2)S(=O)(=O)c2ccccc2)c1.O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C26H23N3O.C22H22N2O5S.C21H20N2OS3.C20H19F3N4O2/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19;1-28-19-10-11-22(29-2)21(14-19)24(30(26,27)20-8-4-3-5-9-20)16-18(25)13-17-7-6-12-23-15-17;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-29-14-7-5-13(6-8-14)15-11-17(20(21,22)23)27-18(24-15)12-16(25-27)19(28)26-9-3-2-4-10-26/h1-2,4-7,10-15,18H,3,8-9,16-17H2;3-12,14-15H,13,16H2,1-2H3;4-11,13H,2-3,12,22H2,1H3;5-8,11-12H,2-4,9-10H2,1H3/p+1
InChIKeyZOCFOTKLKBYPCM-UHFFFAOYSA-O
XLogP18.35
TPSA250.19 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001637.99
LogP ≤ 518.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;N-[5-(hydroxymethyl)-2-methoxyphenyl]-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
CID 160469684
2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;3-[3-[5-(hydroxymethyl)-2-methoxy-N-phosphanylsulfonylanilino]-2-oxopropyl]pyridine;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone
CID 161480772
26-Methoxy-23,23-dioxo-23lambda6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14lambda6-thia-2,7,15,25,27-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(27),9(31),10,12,16,18,20(30),21(29),22,24(2
CID 158541086

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone (CID 162039169) is 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone is CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.COc1ccc(-c2cc(C(F)(F)F)[n+]3[nH]c(C(=O)N4CCCCC4)cc3n2)cc1.COc1ccc(OC)c(N(CC(=O)Cc2cccnc2)S(=O)(=O)c2ccccc2)c1.O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1.
What is the InChIKey of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ZOCFOTKLKBYPCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23N3O.C22H22N2O5S.C21H20N2OS3.C20H19F3N4O2/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19;1-28-19-10-11-22(29-2)21(14-19)24(30(26,27)20-8-4-3-5-9-20)16-18(25)13-17-7-6-12-23-15-17;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-29-14-7-5-13(6-8-14)15-11-17(20(21,22)23)27-18(24-15)12-16(25-27)19(28)26-9-3-2-4-10-26/h1-2,4-7,10-15,18H,3,8-9,16-17H2;3-12,14-15H,13,16H2,1-2H3;4-11,13H,2-3,12,22H2,1H3;5-8,11-12H,2-4,9-10H2,1H3/p+1.
What are the key properties of 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone?
2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone has a molecular weight of 1637.99 g/mol, XLogP of 18.35, 21 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;N-(2,5-dimethoxyphenyl)-N-(2-oxo-3-pyridin-3-ylpropyl)benzenesulfonamide;(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 162039169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).