6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C182H190Cl6N32O19S7 — CID 160517002

IUPAC6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cccc3nccnc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cnc3ccccc3c1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cnc3ccccc3n1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cncc3ccccc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1nc3ccccc3[nH]1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCS(=O)(=O)CCc1cccc3ccccc13)C2
InChIInChI=1S/2C31H32ClN5O3S.C31H33ClN4O4S2.2C30H31ClN6O3S.C29H31ClN6O3S/c32-22-9-11-23(12-10-22)35-31(40)36-30-28(29(33)39)25-14-16-37(19-27(25)41-30)15-4-3-6-24(38)13-8-20-17-21-5-1-2-7-26(21)34-18-20;32-22-9-11-23(12-10-22)35-31(40)36-30-28(29(33)39)26-14-16-37(19-27(26)41-30)15-4-3-6-24(38)13-8-21-18-34-17-20-5-1-2-7-25(20)21;32-23-10-12-24(13-11-23)34-31(38)35-30-28(29(33)37)26-14-17-36(20-27(26)41-30)16-3-4-18-42(39,40)19-15-22-8-5-7-21-6-1-2-9-25(21)22;31-19-8-10-20(11-9-19)35-30(40)36-29-27(28(32)39)23-14-16-37(18-26(23)41-29)15-4-3-5-22(38)13-12-21-17-33-24-6-1-2-7-25(24)34-21;31-20-8-10-21(11-9-20)35-30(40)36-29-26(28(32)39)23-13-17-37(18-25(23)41-29)16-2-1-5-22(38)12-7-19-4-3-6-24-27(19)34-15-14-33-24;30-18-8-10-19(11-9-18)32-29(39)35-28-26(27(31)38)21-14-16-36(17-24(21)40-28)15-4-3-5-20(37)12-13-25-33-22-6-1-2-7-23(22)34-25/h2*1-2,5,7,9-12,17-18H,3-4,6,8,13-16,19H2,(H2,33,39)(H2,35,36,40);1-2,5-13H,3-4,14-20H2,(H2,33,37)(H2,34,35,38);1-2,6-11,17H,3-5,12-16,18H2,(H2,32,39)(H2,35,36,40);3-4,6,8-11,14-15H,1-2,5,7,12-13,16-18H2,(H2,32,39)(H2,35,36,40);1-2,6-11H,3-5,12-17H2,(H2,31,38)(H,33,34)(H2,32,35,39)
InChIKeyQTUCJGQISKKSOV-UHFFFAOYSA-N
MW3566.91 g/mol
LogP36.33
Rot. Bonds66

About 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 160517002) has the molecular formula C182H190Cl6N32O19S7 and a molecular weight of 3566.91 g/mol. Its IUPAC name is 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID160517002
Molecular FormulaC182H190Cl6N32O19S7
Molecular Weight3566.91 g/mol
Exact Mass3561.11
IUPAC Name6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cccc3nccnc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cnc3ccccc3c1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cnc3ccccc3n1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cncc3ccccc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1nc3ccccc3[nH]1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCS(=O)(=O)CCc1cccc3ccccc13)C2
InChIInChI=1S/2C31H32ClN5O3S.C31H33ClN4O4S2.2C30H31ClN6O3S.C29H31ClN6O3S/c32-22-9-11-23(12-10-22)35-31(40)36-30-28(29(33)39)25-14-16-37(19-27(25)41-30)15-4-3-6-24(38)13-8-20-17-21-5-1-2-7-26(21)34-18-20;32-22-9-11-23(12-10-22)35-31(40)36-30-28(29(33)39)26-14-16-37(19-27(26)41-30)15-4-3-6-24(38)13-8-21-18-34-17-20-5-1-2-7-25(20)21;32-23-10-12-24(13-11-23)34-31(38)35-30-28(29(33)37)26-14-17-36(20-27(26)41-30)16-3-4-18-42(39,40)19-15-22-8-5-7-21-6-1-2-9-25(21)22;31-19-8-10-20(11-9-19)35-30(40)36-29-27(28(32)39)23-14-16-37(18-26(23)41-29)15-4-3-5-22(38)13-12-21-17-33-24-6-1-2-7-25(24)34-21;31-20-8-10-21(11-9-20)35-30(40)36-29-26(28(32)39)23-13-17-37(18-25(23)41-29)16-2-1-5-22(38)12-7-19-4-3-6-24-27(19)34-15-14-33-24;30-18-8-10-19(11-9-18)32-29(39)35-28-26(27(31)38)21-14-16-36(17-24(21)40-28)15-4-3-5-20(37)12-13-25-33-22-6-1-2-7-23(22)34-25/h2*1-2,5,7,9-12,17-18H,3-4,6,8,13-16,19H2,(H2,33,39)(H2,35,36,40);1-2,5-13H,3-4,14-20H2,(H2,33,37)(H2,34,35,38);1-2,6-11,17H,3-5,12-16,18H2,(H2,32,39)(H2,35,36,40);3-4,6,8-11,14-15H,1-2,5,7,12-13,16-18H2,(H2,32,39)(H2,35,36,40);1-2,6-11H,3-5,12-17H2,(H2,31,38)(H,33,34)(H2,32,35,39)
InChIKeyQTUCJGQISKKSOV-UHFFFAOYSA-N
XLogP36.33
TPSA750.27 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds66
Heavy Atoms246
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003566.91
LogP ≤ 536.33
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 160517002) is 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cccc3nccnc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cnc3ccccc3c1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cnc3ccccc3n1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1cncc3ccccc13)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCC(=O)CCc1nc3ccccc3[nH]1)C2.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCCS(=O)(=O)CCc1cccc3ccccc13)C2.
What is the InChIKey of 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is QTUCJGQISKKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H32ClN5O3S.C31H33ClN4O4S2.2C30H31ClN6O3S.C29H31ClN6O3S/c32-22-9-11-23(12-10-22)35-31(40)36-30-28(29(33)39)25-14-16-37(19-27(25)41-30)15-4-3-6-24(38)13-8-20-17-21-5-1-2-7-26(21)34-18-20;32-22-9-11-23(12-10-22)35-31(40)36-30-28(29(33)39)26-14-16-37(19-27(26)41-30)15-4-3-6-24(38)13-8-21-18-34-17-20-5-1-2-7-25(20)21;32-23-10-12-24(13-11-23)34-31(38)35-30-28(29(33)37)26-14-17-36(20-27(26)41-30)16-3-4-18-42(39,40)19-15-22-8-5-7-21-6-1-2-9-25(21)22;31-19-8-10-20(11-9-19)35-30(40)36-29-27(28(32)39)23-14-16-37(18-26(23)41-29)15-4-3-5-22(38)13-12-21-17-33-24-6-1-2-7-25(24)34-21;31-20-8-10-21(11-9-20)35-30(40)36-29-26(28(32)39)23-13-17-37(18-25(23)41-29)16-2-1-5-22(38)12-7-19-4-3-6-24-27(19)34-15-14-33-24;30-18-8-10-19(11-9-18)32-29(39)35-28-26(27(31)38)21-14-16-36(17-24(21)40-28)15-4-3-5-20(37)12-13-25-33-22-6-1-2-7-23(22)34-25/h2*1-2,5,7,9-12,17-18H,3-4,6,8,13-16,19H2,(H2,33,39)(H2,35,36,40);1-2,5-13H,3-4,14-20H2,(H2,33,37)(H2,34,35,38);1-2,6-11,17H,3-5,12-16,18H2,(H2,32,39)(H2,35,36,40);3-4,6,8-11,14-15H,1-2,5,7,12-13,16-18H2,(H2,32,39)(H2,35,36,40);1-2,6-11H,3-5,12-17H2,(H2,31,38)(H,33,34)(H2,32,35,39).
What are the key properties of 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 3566.91 g/mol, XLogP of 36.33, 66 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(1H-benzimidazol-2-yl)-5-oxoheptyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(7-isoquinolin-4-yl-5-oxoheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-[4-(2-naphthalen-1-ylethylsulfonyl)butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinolin-3-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-2-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2-[(4-chlorophenyl)carbamoylamino]-6-(5-oxo-7-quinoxalin-5-ylheptyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 160517002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).