[1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid

C141H123Cl6F6N12O25P7S2 — CID 158478971

About [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid

[1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid (PubChem CID 158478971) has the molecular formula C141H123Cl6F6N12O25P7S2 and a molecular weight of 2993.25 g/mol. Its IUPAC name is [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid.

Molecular Properties

• Compound Name: [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid
• PubChem CID: 158478971
• Molecular Formula: C141H123Cl6F6N12O25P7S2
• Molecular Weight: 2993.25 g/mol
• Exact Mass: 2988.44
• IUPAC Name: [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid
• SMILES: Cc1ccc2scc(C(C(=O)Nc3ccc4ccccc4c3)P(=O)(O)O)c2c1.Cn1cc(C(C(=O)N/C=C/c2ccc(F)c(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2cccc(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(=O)(O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(C)(=O)O)c2cc(Cl)ccc21.O=C(N/C=C/c1ccc(F)c(F)c1)C(c1csc2ccc(Cl)cc12)P(=O)(O)O
• InChI: InChI=1S/C22H20ClN2O3P.C21H18ClN2O4P.C21H18NO4PS.C20H18ClF2N2O3P.C20H19ClFN2O3P.C19H17ClFN2O4P.C18H13ClF2NO4PS/c1-25-13-19(18-12-16(23)8-10-20(18)25)21(29(2,27)28)22(26)24-17-9-7-14-5-3-4-6-15(14)11-17;1-24-12-18(17-11-15(22)7-9-19(17)24)20(29(26,27)28)21(25)23-16-8-6-13-4-2-3-5-14(13)10-16;1-13-6-9-19-17(10-13)18(12-28-19)20(27(24,25)26)21(23)22-16-8-7-14-4-2-3-5-15(14)11-16;1-25-11-15(14-10-13(21)4-6-18(14)25)19(29(2,27)28)20(26)24-8-7-12-3-5-16(22)17(23)9-12;1-24-12-17(16-11-14(21)6-7-18(16)24)19(28(2,26)27)20(25)23-9-8-13-4-3-5-15(22)10-13;1-23-11-16(15-10-13(20)4-7-17(15)23)18(28(25,26)27)19(24)22-9-8-12-2-5-14(21)6-3-12;19-11-2-4-16-12(8-11)13(9-28-16)17(27(24,25)26)18(23)22-6-5-10-1-3-14(20)15(21)7-10/h3-13,21H,1-2H3,(H,24,26)(H,27,28);2-12,20H,1H3,(H,23,25)(H2,26,27,28);2-12,20H,1H3,(H,22,23)(H2,24,25,26);3-11,19H,1-2H3,(H,24,26)(H,27,28);3-12,19H,1-2H3,(H,23,25)(H,26,27);2-11,18H,1H3,(H,22,24)(H2,25,26,27);1-9,17H,(H,22,23)(H2,24,25,26)/b;;;8-7+;2*9-8+;6-5+
• InChIKey: HHHALOTZIYVQDM-MICDWLMPSA-N
• XLogP: 33.98
• TPSA: 570.37 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 21
• Rotatable Bonds: 32
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2993.25
LogP ≤ 5	33.98
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?

The IUPAC name of [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid (CID 158478971) is [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid.

What is the SMILES notation for [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?

The canonical SMILES for [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid is Cc1ccc2scc(C(C(=O)Nc3ccc4ccccc4c3)P(=O)(O)O)c2c1.Cn1cc(C(C(=O)N/C=C/c2ccc(F)c(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2cccc(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(=O)(O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(C)(=O)O)c2cc(Cl)ccc21.O=C(N/C=C/c1ccc(F)c(F)c1)C(c1csc2ccc(Cl)cc12)P(=O)(O)O.

What is the InChIKey of [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?

The InChIKey is HHHALOTZIYVQDM-MICDWLMPSA-N. The full InChI is InChI=1S/C22H20ClN2O3P.C21H18ClN2O4P.C21H18NO4PS.C20H18ClF2N2O3P.C20H19ClFN2O3P.C19H17ClFN2O4P.C18H13ClF2NO4PS/c1-25-13-19(18-12-16(23)8-10-20(18)25)21(29(2,27)28)22(26)24-17-9-7-14-5-3-4-6-15(14)11-17;1-24-12-18(17-11-15(22)7-9-19(17)24)20(29(26,27)28)21(25)23-16-8-6-13-4-2-3-5-14(13)10-16;1-13-6-9-19-17(10-13)18(12-28-19)20(27(24,25)26)21(23)22-16-8-7-14-4-2-3-5-15(14)11-16;1-25-11-15(14-10-13(21)4-6-18(14)25)19(29(2,27)28)20(26)24-8-7-12-3-5-16(22)17(23)9-12;1-24-12-17(16-11-14(21)6-7-18(16)24)19(28(2,26)27)20(25)23-9-8-13-4-3-5-15(22)10-13;1-23-11-16(15-10-13(20)4-7-17(15)23)18(28(25,26)27)19(24)22-9-8-12-2-5-14(21)6-3-12;19-11-2-4-16-12(8-11)13(9-28-16)17(27(24,25)26)18(23)22-6-5-10-1-3-14(20)15(21)7-10/h3-13,21H,1-2H3,(H,24,26)(H,27,28);2-12,20H,1H3,(H,23,25)(H2,26,27,28);2-12,20H,1H3,(H,22,23)(H2,24,25,26);3-11,19H,1-2H3,(H,24,26)(H,27,28);3-12,19H,1-2H3,(H,23,25)(H,26,27);2-11,18H,1H3,(H,22,24)(H2,25,26,27);1-9,17H,(H,22,23)(H2,24,25,26)/b;;;8-7+;2*9-8+;6-5+.

What are the key properties of [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid?

[1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid has a molecular weight of 2993.25 g/mol, XLogP of 33.98, 32 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 158478971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).