N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide

C108H96F3N11O14S — CID 158655234

About N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide (PubChem CID 158655234) has the molecular formula C108H96F3N11O14S and a molecular weight of 1861.08 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 158655234
• Molecular Formula: C108H96F3N11O14S
• Molecular Weight: 1861.08 g/mol
• Exact Mass: 1859.68
• IUPAC Name: N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide
• SMILES: CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cccc(C)c4)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)N=S(C)(C)=O)c[nH]4)c3)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2F)c1.Cc1cccc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(N)=O)c[nH]4)c3)cc2)c1
• InChI: InChI=1S/C28H26FN3O4S.C28H27N3O3.C26H20F2N2O4.C26H23N3O3/c1-18-4-9-25(29)20(12-18)14-22(33)13-19-5-7-23(8-6-19)36-24-10-11-30-27(16-24)26-15-21(17-31-26)28(34)32-37(2,3)35;1-3-29-28(33)22-16-26(31-18-22)27-17-25(11-12-30-27)34-24-9-7-20(8-10-24)14-23(32)15-21-6-4-5-19(2)13-21;1-15-2-5-22(27)17(8-15)10-19(31)9-16-3-4-20(12-23(16)28)34-21-6-7-29-25(13-21)24-11-18(14-30-24)26(32)33;1-17-3-2-4-19(11-17)13-21(30)12-18-5-7-22(8-6-18)32-23-9-10-28-25(15-23)24-14-20(16-29-24)26(27)31/h4-12,15-17,31H,13-14H2,1-3H3;4-13,16-18,31H,3,14-15H2,1-2H3,(H,29,33);2-8,11-14,30H,9-10H2,1H3,(H,32,33);2-11,14-16,29H,12-13H2,1H3,(H2,27,31)
• InChIKey: ICAXQNIJDPQEEM-UHFFFAOYSA-N
• XLogP: 20.96
• TPSA: 375.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 33
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1861.08
LogP ≤ 5	20.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide (CID 158655234) is N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide is CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cccc(C)c4)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)N=S(C)(C)=O)c[nH]4)c3)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2F)c1.Cc1cccc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(N)=O)c[nH]4)c3)cc2)c1.

What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

The InChIKey is ICAXQNIJDPQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4S.C28H27N3O3.C26H20F2N2O4.C26H23N3O3/c1-18-4-9-25(29)20(12-18)14-22(33)13-19-5-7-23(8-6-19)36-24-10-11-30-27(16-24)26-15-21(17-31-26)28(34)32-37(2,3)35;1-3-29-28(33)22-16-26(31-18-22)27-17-25(11-12-30-27)34-24-9-7-20(8-10-24)14-23(32)15-21-6-4-5-19(2)13-21;1-15-2-5-22(27)17(8-15)10-19(31)9-16-3-4-20(12-23(16)28)34-21-6-7-29-25(13-21)24-11-18(14-30-24)26(32)33;1-17-3-2-4-19(11-17)13-21(30)12-18-5-7-22(8-6-18)32-23-9-10-28-25(15-23)24-14-20(16-29-24)26(27)31/h4-12,15-17,31H,13-14H2,1-3H3;4-13,16-18,31H,3,14-15H2,1-2H3,(H,29,33);2-8,11-14,30H,9-10H2,1H3,(H,32,33);2-11,14-16,29H,12-13H2,1H3,(H2,27,31).

What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide?

N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide has a molecular weight of 1861.08 g/mol, XLogP of 20.96, 33 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;N-ethyl-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158655234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).