N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide

C87H78Br2Cl2N20O9S5 — CID 162048487

About N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide

N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 162048487) has the molecular formula C87H78Br2Cl2N20O9S5 and a molecular weight of 1938.76 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide
• PubChem CID: 162048487
• Molecular Formula: C87H78Br2Cl2N20O9S5
• Molecular Weight: 1938.76 g/mol
• Exact Mass: 1934.26
• IUPAC Name: N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCSCC1.[H]/N=C(/c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
• InChI: InChI=1S/C22H20BrN5O3S.C22H20BrN5O2S2.C22H20ClN5O2S.C21H18ClN5O2S/c23-16-5-6-18(25-13-16)27-22(30)19-17(7-12-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-10-31-11-9-28;23-16-5-6-18(25-13-16)27-22(30)19-17(7-10-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-11-31-12-9-28;23-16-7-8-18(25-13-16)26-21(30)17-9-12-31-22(17)27-20(29)15-5-3-14(4-6-15)19(24)28-10-1-2-11-28;1-27-10-9-23-18(27)13-2-4-14(5-3-13)19(28)26-21-16(8-11-30-21)20(29)25-17-7-6-15(22)12-24-17/h1-7,12-13,24H,8-11H2,(H,26,29)(H,25,27,30);1-7,10,13,24H,8-9,11-12H2,(H,26,29)(H,25,27,30);3-9,12-13,24H,1-2,10-11H2,(H,27,29)(H,25,26,30);2-8,11-12H,9-10H2,1H3,(H,26,28)(H,24,25,29)/b2*24-20-;24-19-
• InChIKey: YYFPWLYTERZXTC-AFNDCCMVSA-N
• XLogP: 17.57
• TPSA: 390.46 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.76
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide (CID 162048487) is N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide is CN1CCN=C1c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCSCC1.[H]/N=C(/c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide?

The InChIKey is YYFPWLYTERZXTC-AFNDCCMVSA-N. The full InChI is InChI=1S/C22H20BrN5O3S.C22H20BrN5O2S2.C22H20ClN5O2S.C21H18ClN5O2S/c23-16-5-6-18(25-13-16)27-22(30)19-17(7-12-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-10-31-11-9-28;23-16-5-6-18(25-13-16)27-22(30)19-17(7-10-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-11-31-12-9-28;23-16-7-8-18(25-13-16)26-21(30)17-9-12-31-22(17)27-20(29)15-5-3-14(4-6-15)19(24)28-10-1-2-11-28;1-27-10-9-23-18(27)13-2-4-14(5-3-13)19(28)26-21-16(8-11-30-21)20(29)25-17-7-6-15(22)12-24-17/h1-7,12-13,24H,8-11H2,(H,26,29)(H,25,27,30);1-7,10,13,24H,8-9,11-12H2,(H,26,29)(H,25,27,30);3-9,12-13,24H,1-2,10-11H2,(H,27,29)(H,25,26,30);2-8,11-12H,9-10H2,1H3,(H,26,28)(H,24,25,29)/b2*24-20-;24-19-;.

What are the key properties of N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide?

N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 1938.76 g/mol, XLogP of 17.57, 20 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-bromo-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 162048487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).