2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide

C154H110BrF7IN21O7S7 — CID 157440703

IUPAC2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Nc1ncc(-c2ccccc2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C23H19N3OS.C22H16BrN3OS.C22H12F5N3OS.C22H15F2N3OS.C22H16IN3OS.C22H17N3OS.C21H15N3OS/c27-21(14-13-17-8-3-1-4-9-17)26-23-22(20-12-7-15-28-20)25-19(16-24-23)18-10-5-2-6-11-18;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;23-16-12(17(24)19(26)20(27)18(16)25)9-15(31)30-22-21(14-7-4-8-32-14)29-13(10-28-22)11-5-2-1-3-6-11;23-16-9-8-14(11-17(16)24)12-20(28)27-22-21(19-7-4-10-29-19)26-18(13-25-22)15-5-2-1-3-6-15;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;26-20(14-16-8-3-1-4-9-16)25-22-21(19-12-7-13-27-19)24-18(15-23-22)17-10-5-2-6-11-17;25-21(16-10-5-2-6-11-16)24-20-19(18-12-7-13-26-18)23-17(14-22-20)15-8-3-1-4-9-15/h1-12,15-16H,13-14H2,(H,24,26,27);1-12,14H,13H2,(H,24,26,27);1-8,10H,9H2,(H,28,30,31);1-11,13H,12H2,(H,25,27,28);1-12,14H,13H2,(H,24,26,27);1-13,15H,14H2,(H,23,25,26);1-14H,(H,22,24,25)
InChIKeyBRQGTYNXWXZMCB-UHFFFAOYSA-N
MW2930.98 g/mol
LogP38.18
Rot. Bonds35

About 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide

2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide (PubChem CID 157440703) has the molecular formula C154H110BrF7IN21O7S7 and a molecular weight of 2930.98 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide
PubChem CID157440703
Molecular FormulaC154H110BrF7IN21O7S7
Molecular Weight2930.98 g/mol
Exact Mass2927.51
IUPAC Name2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide
SMILESO=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Nc1ncc(-c2ccccc2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C23H19N3OS.C22H16BrN3OS.C22H12F5N3OS.C22H15F2N3OS.C22H16IN3OS.C22H17N3OS.C21H15N3OS/c27-21(14-13-17-8-3-1-4-9-17)26-23-22(20-12-7-15-28-20)25-19(16-24-23)18-10-5-2-6-11-18;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;23-16-12(17(24)19(26)20(27)18(16)25)9-15(31)30-22-21(14-7-4-8-32-14)29-13(10-28-22)11-5-2-1-3-6-11;23-16-9-8-14(11-17(16)24)12-20(28)27-22-21(19-7-4-10-29-19)26-18(13-25-22)15-5-2-1-3-6-15;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;26-20(14-16-8-3-1-4-9-16)25-22-21(19-12-7-13-27-19)24-18(15-23-22)17-10-5-2-6-11-17;25-21(16-10-5-2-6-11-16)24-20-19(18-12-7-13-26-18)23-17(14-22-20)15-8-3-1-4-9-15/h1-12,15-16H,13-14H2,(H,24,26,27);1-12,14H,13H2,(H,24,26,27);1-8,10H,9H2,(H,28,30,31);1-11,13H,12H2,(H,25,27,28);1-12,14H,13H2,(H,24,26,27);1-13,15H,14H2,(H,23,25,26);1-14H,(H,22,24,25)
InChIKeyBRQGTYNXWXZMCB-UHFFFAOYSA-N
XLogP38.18
TPSA384.16 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002930.98
LogP ≤ 538.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide (CID 157440703) is 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide is O=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Nc1ncc(-c2ccccc2)nc1-c1cccs1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide?
The InChIKey is BRQGTYNXWXZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS.C22H16BrN3OS.C22H12F5N3OS.C22H15F2N3OS.C22H16IN3OS.C22H17N3OS.C21H15N3OS/c27-21(14-13-17-8-3-1-4-9-17)26-23-22(20-12-7-15-28-20)25-19(16-24-23)18-10-5-2-6-11-18;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;23-16-12(17(24)19(26)20(27)18(16)25)9-15(31)30-22-21(14-7-4-8-32-14)29-13(10-28-22)11-5-2-1-3-6-11;23-16-9-8-14(11-17(16)24)12-20(28)27-22-21(19-7-4-10-29-19)26-18(13-25-22)15-5-2-1-3-6-15;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;26-20(14-16-8-3-1-4-9-16)25-22-21(19-12-7-13-27-19)24-18(15-23-22)17-10-5-2-6-11-17;25-21(16-10-5-2-6-11-16)24-20-19(18-12-7-13-26-18)23-17(14-22-20)15-8-3-1-4-9-15/h1-12,15-16H,13-14H2,(H,24,26,27);1-12,14H,13H2,(H,24,26,27);1-8,10H,9H2,(H,28,30,31);1-11,13H,12H2,(H,25,27,28);1-12,14H,13H2,(H,24,26,27);1-13,15H,14H2,(H,23,25,26);1-14H,(H,22,24,25).
What are the key properties of 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide?
2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide has a molecular weight of 2930.98 g/mol, XLogP of 38.18, 35 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 157440703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).