6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C147H153Cl5N32O15S5 — CID 161155695

About 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 161155695) has the molecular formula C147H153Cl5N32O15S5 and a molecular weight of 2945.65 g/mol. Its IUPAC name is 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 161155695
• Molecular Formula: C147H153Cl5N32O15S5
• Molecular Weight: 2945.65 g/mol
• Exact Mass: 2940.92
• IUPAC Name: 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cccc3cccnc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cnc3ccccc3c1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cnc3ccccc3n1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cncc3ccccc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1nc3ccccc3[nH]1)C2
• InChI: InChI=1S/3C30H31ClN6O3S.C29H30ClN7O3S.C28H30ClN7O3S/c31-21-8-10-22(11-9-21)35-30(40)36-29-26(28(32)39)23-13-17-37(18-24(23)41-29)16-3-15-33-25(38)12-7-20-5-1-4-19-6-2-14-34-27(19)20;31-21-7-9-22(10-8-21)35-30(40)36-29-27(28(32)39)23-12-15-37(18-25(23)41-29)14-3-13-33-26(38)11-6-19-16-20-4-1-2-5-24(20)34-17-19;31-21-7-9-22(10-8-21)35-30(40)36-29-27(28(32)39)24-12-15-37(18-25(24)41-29)14-3-13-34-26(38)11-6-20-17-33-16-19-4-1-2-5-23(19)20;30-18-6-8-19(9-7-18)35-29(40)36-28-26(27(31)39)21-12-15-37(17-24(21)41-28)14-3-13-32-25(38)11-10-20-16-33-22-4-1-2-5-23(22)34-20;29-17-6-8-18(9-7-17)32-28(39)35-27-25(26(30)38)19-12-15-36(16-22(19)40-27)14-3-13-31-24(37)11-10-23-33-20-4-1-2-5-21(20)34-23/h1-2,4-6,8-11,14H,3,7,12-13,15-18H2,(H2,32,39)(H,33,38)(H2,35,36,40);1-2,4-5,7-10,16-17H,3,6,11-15,18H2,(H2,32,39)(H,33,38)(H2,35,36,40);1-2,4-5,7-10,16-17H,3,6,11-15,18H2,(H2,32,39)(H,34,38)(H2,35,36,40);1-2,4-9,16H,3,10-15,17H2,(H2,31,39)(H,32,38)(H2,35,36,40);1-2,4-9H,3,10-16H2,(H2,30,38)(H,31,37)(H,33,34)(H2,32,35,39)
• InChIKey: UPGMBURJRRMBBY-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 675.93 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 31
• Rotatable Bonds: 50
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2945.65
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 161155695) is 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cccc3cccnc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cnc3ccccc3c1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cnc3ccccc3n1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1cncc3ccccc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1nc3ccccc3[nH]1)C2.

What is the InChIKey of 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is UPGMBURJRRMBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H31ClN6O3S.C29H30ClN7O3S.C28H30ClN7O3S/c31-21-8-10-22(11-9-21)35-30(40)36-29-26(28(32)39)23-13-17-37(18-24(23)41-29)16-3-15-33-25(38)12-7-20-5-1-4-19-6-2-14-34-27(19)20;31-21-7-9-22(10-8-21)35-30(40)36-29-27(28(32)39)23-12-15-37(18-25(23)41-29)14-3-13-33-26(38)11-6-19-16-20-4-1-2-5-24(20)34-17-19;31-21-7-9-22(10-8-21)35-30(40)36-29-27(28(32)39)24-12-15-37(18-25(24)41-29)14-3-13-34-26(38)11-6-20-17-33-16-19-4-1-2-5-23(19)20;30-18-6-8-19(9-7-18)35-29(40)36-28-26(27(31)39)21-12-15-37(17-24(21)41-28)14-3-13-32-25(38)11-10-20-16-33-22-4-1-2-5-23(22)34-20;29-17-6-8-18(9-7-17)32-28(39)35-27-25(26(30)38)19-12-15-36(16-22(19)40-27)14-3-13-31-24(37)11-10-23-33-20-4-1-2-5-21(20)34-23/h1-2,4-6,8-11,14H,3,7,12-13,15-18H2,(H2,32,39)(H,33,38)(H2,35,36,40);1-2,4-5,7-10,16-17H,3,6,11-15,18H2,(H2,32,39)(H,33,38)(H2,35,36,40);1-2,4-5,7-10,16-17H,3,6,11-15,18H2,(H2,32,39)(H,34,38)(H2,35,36,40);1-2,4-9,16H,3,10-15,17H2,(H2,31,39)(H,32,38)(H2,35,36,40);1-2,4-9H,3,10-16H2,(H2,30,38)(H,31,37)(H,33,34)(H2,32,35,39).

What are the key properties of 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 2945.65 g/mol, XLogP of 24.67, 50 rotatable bonds, 21 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-isoquinolin-4-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-3-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinolin-8-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[3-(3-quinoxalin-2-ylpropanoylamino)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 161155695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).