N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide

C82H90F3N13O11S2 — CID 159302016

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 159302016) has the molecular formula C82H90F3N13O11S2 and a molecular weight of 1554.83 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 159302016
• Molecular Formula: C82H90F3N13O11S2
• Molecular Weight: 1554.83 g/mol
• Exact Mass: 1553.63
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cccs4)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4noc(-c5cccs5)n4)CCCCC3)n(C)c2C)ccc1F.Cc1nc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CCCCC2)no1
• InChI: InChI=1S/C29H30FN5O4S.C27H30FN3O3S.C26H30FN5O4/c1-16-15-19(10-11-20(16)30)31-25(37)22-17(2)23(35(4)18(22)3)24(36)26(38)33-29(12-6-5-7-13-29)28-32-27(39-34-28)21-9-8-14-40-21;1-16-15-19(10-11-20(16)28)29-25(33)22-17(2)23(31(4)18(22)3)24(32)26(34)30-27(12-6-5-7-13-27)21-9-8-14-35-21;1-14-13-18(9-10-19(14)27)29-23(34)20-15(2)21(32(5)16(20)3)22(33)24(35)30-26(11-7-6-8-12-26)25-28-17(4)36-31-25/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,31,37)(H,33,38);8-11,14-15H,5-7,12-13H2,1-4H3,(H,29,33)(H,30,34);9-10,13H,6-8,11-12H2,1-5H3,(H,29,34)(H,30,35)
• InChIKey: LBLKGKHNCZBCNV-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 318.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1554.83
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (CID 159302016) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cccs4)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4noc(-c5cccs5)n4)CCCCC3)n(C)c2C)ccc1F.Cc1nc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CCCCC2)no1.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is LBLKGKHNCZBCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O4S.C27H30FN3O3S.C26H30FN5O4/c1-16-15-19(10-11-20(16)30)31-25(37)22-17(2)23(35(4)18(22)3)24(36)26(38)33-29(12-6-5-7-13-29)28-32-27(39-34-28)21-9-8-14-40-21;1-16-15-19(10-11-20(16)28)29-25(33)22-17(2)23(31(4)18(22)3)24(32)26(34)30-27(12-6-5-7-13-27)21-9-8-14-35-21;1-14-13-18(9-10-19(14)27)29-23(34)20-15(2)21(32(5)16(20)3)22(33)24(35)30-26(11-7-6-8-12-26)25-28-17(4)36-31-25/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,31,37)(H,33,38);8-11,14-15H,5-7,12-13H2,1-4H3,(H,29,33)(H,30,34);9-10,13H,6-8,11-12H2,1-5H3,(H,29,34)(H,30,35).

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 1554.83 g/mol, XLogP of 15.37, 19 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-thiophen-2-ylcyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159302016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).