2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone

C62H55F2N11O8S — CID 158085764

About 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone

2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone (PubChem CID 158085764) has the molecular formula C62H55F2N11O8S and a molecular weight of 1152.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone.

Molecular Properties

• Compound Name: 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone
• PubChem CID: 158085764
• Molecular Formula: C62H55F2N11O8S
• Molecular Weight: 1152.25 g/mol
• Exact Mass: 1151.39
• IUPAC Name: 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone
• SMILES: COc1cc2c(Nc3ccc(CC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1.NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O.O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
• InChI: InChI=1S/C30H32N4O4.C20H13FN4O2.C12H10FN3O2S/c1-36-28-19-25-26(20-29(28)38-15-5-12-34-13-16-37-17-14-34)31-21-32-30(25)33-24-10-8-22(9-11-24)18-27(35)23-6-3-2-4-7-23;21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27;13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h2-4,6-11,19-21H,5,12-18H2,1H3,(H,31,32,33);1-12H,(H,23,24);1-5H,(H2,14,17)(H3,15,16,18)
• InChIKey: BUAKBCRQFODEMF-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 268.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.25
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone?

The IUPAC name of 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone (CID 158085764) is 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone.

What is the SMILES notation for 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone?

The canonical SMILES for 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone is COc1cc2c(Nc3ccc(CC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1.NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O.O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.

What is the InChIKey of 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone?

The InChIKey is BUAKBCRQFODEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4.C20H13FN4O2.C12H10FN3O2S/c1-36-28-19-25-26(20-29(28)38-15-5-12-34-13-16-37-17-14-34)31-21-32-30(25)33-24-10-8-22(9-11-24)18-27(35)23-6-3-2-4-7-23;21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27;13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h2-4,6-11,19-21H,5,12-18H2,1H3,(H,31,32,33);1-12H,(H,23,24);1-5H,(H2,14,17)(H3,15,16,18).

What are the key properties of 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone?

2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone has a molecular weight of 1152.25 g/mol, XLogP of 11.91, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone is sourced from PubChem (CID 158085764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).