2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide

C114H119F3N10O19S2 — CID 158651523

About 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide

2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide (PubChem CID 158651523) has the molecular formula C114H119F3N10O19S2 and a molecular weight of 2054.38 g/mol. Its IUPAC name is 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide
• PubChem CID: 158651523
• Molecular Formula: C114H119F3N10O19S2
• Molecular Weight: 2054.38 g/mol
• Exact Mass: 2052.80
• IUPAC Name: 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide
• SMILES: COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccc(C)n3)c3cc(F)ccc32)cc(OC)c1S(N)(=O)=O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccn3C)c3cc(F)ccc32)cc(OC)c1S.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)NCCN(C)C.COc1ccc2c(c1)C(CC(=O)NCc1ccc[nH]1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1
• InChI: InChI=1S/C31H34FN3O6.C28H28FN3O5S.C28H30N2O5.C27H27FN2O3S/c1-19-24(13-20-14-27(38-4)30(28(15-20)39-5)41-31(37)33-10-11-35(2)3)23-9-8-21(32)16-26(23)25(19)17-29(36)34-18-22-7-6-12-40-22;1-16-6-5-7-20(32-16)15-31-27(33)14-23-17(2)22(21-9-8-19(29)13-24(21)23)10-18-11-25(36-3)28(38(30,34)35)26(12-18)37-4;1-17-22(11-18-12-25(33-3)28(35-5)26(13-18)34-4)21-9-8-20(32-2)14-24(21)23(17)15-27(31)30-16-19-7-6-10-29-19;1-16-21(10-17-11-24(32-3)27(34)25(12-17)33-4)20-8-7-18(28)13-23(20)22(16)14-26(31)29-15-19-6-5-9-30(19)2/h6-9,12-16H,10-11,17-18H2,1-5H3,(H,33,37)(H,34,36);5-13H,14-15H2,1-4H3,(H,31,33)(H2,30,34,35);6-14,29H,15-16H2,1-5H3,(H,30,31);5-13,34H,14-15H2,1-4H3,(H,29,31)/b24-13-;22-10-;22-11-;21-10-
• InChIKey: IBPPTFRTFVAKHG-MTEIHQRESA-N
• XLogP: 19.94
• TPSA: 357.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.38
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide?

The IUPAC name of 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide (CID 158651523) is 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide?

The canonical SMILES for 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide is COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccc(C)n3)c3cc(F)ccc32)cc(OC)c1S(N)(=O)=O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccn3C)c3cc(F)ccc32)cc(OC)c1S.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)NCCN(C)C.COc1ccc2c(c1)C(CC(=O)NCc1ccc[nH]1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1.

What is the InChIKey of 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide?

The InChIKey is IBPPTFRTFVAKHG-MTEIHQRESA-N. The full InChI is InChI=1S/C31H34FN3O6.C28H28FN3O5S.C28H30N2O5.C27H27FN2O3S/c1-19-24(13-20-14-27(38-4)30(28(15-20)39-5)41-31(37)33-10-11-35(2)3)23-9-8-21(32)16-26(23)25(19)17-29(36)34-18-22-7-6-12-40-22;1-16-6-5-7-20(32-16)15-31-27(33)14-23-17(2)22(21-9-8-19(29)13-24(21)23)10-18-11-25(36-3)28(38(30,34)35)26(12-18)37-4;1-17-22(11-18-12-25(33-3)28(35-5)26(13-18)34-4)21-9-8-20(32-2)14-24(21)23(17)15-27(31)30-16-19-7-6-10-29-19;1-16-21(10-17-11-24(32-3)27(34)25(12-17)33-4)20-8-7-18(28)13-23(20)22(16)14-26(31)29-15-19-6-5-9-30(19)2/h6-9,12-16H,10-11,17-18H2,1-5H3,(H,33,37)(H,34,36);5-13H,14-15H2,1-4H3,(H,31,33)(H2,30,34,35);6-14,29H,15-16H2,1-5H3,(H,30,31);5-13,34H,14-15H2,1-4H3,(H,29,31)/b24-13-;22-10-;22-11-;21-10-.

What are the key properties of 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide?

2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide has a molecular weight of 2054.38 g/mol, XLogP of 19.94, 35 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3Z)-3-[(3,5-dimethoxy-4-sulfamoylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide;2-[(3Z)-3-[(3,5-dimethoxy-4-sulfanylphenyl)methylidene]-6-fluoro-2-methylinden-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] N-[2-(dimethylamino)ethyl]carbamate;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide is sourced from PubChem (CID 158651523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).