5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide

C170H175Cl6N37O20S6 — CID 161086761

IUPAC5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide
SMILESCN(C)C(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(N)=O)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CNC(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C
InChIInChI=1S/C33H38ClN7O5S.C30H31ClN6O3S.C29H31ClN6O3S.C27H27ClN6O3S.C26H25ClN6O3S.C25H23ClN6O3S/c1-33(2,3)46-32(45)41-16-14-40(15-17-41)28(42)20-47-24-11-12-26(25(18-24)31(44)38-27-13-10-23(34)19-36-27)37-30(43)22-8-6-21(7-9-22)29(35)39(4)5;1-36-16-13-32-28(36)20-5-7-21(8-6-20)29(39)34-25-11-10-23(41-19-27(38)37-14-3-2-4-15-37)17-24(25)30(40)35-26-12-9-22(31)18-33-26;1-35(2)27(31)19-6-8-20(9-7-19)28(38)33-24-12-11-22(40-18-26(37)36-14-4-3-5-15-36)16-23(24)29(39)34-25-13-10-21(30)17-32-25;1-33(2)24(35)16-38-20-9-10-22(21(14-20)27(37)32-23-11-8-19(28)15-30-23)31-26(36)18-6-4-17(5-7-18)25-29-12-13-34(25)3;1-28-23(34)15-37-19-8-9-21(20(13-19)26(36)32-22-10-7-18(27)14-30-22)31-25(35)17-5-3-16(4-6-17)24-29-11-12-33(24)2;1-32-11-10-28-23(32)15-2-4-16(5-3-15)24(34)30-20-8-7-18(36-14-21(27)33)12-19(20)25(35)31-22-9-6-17(26)13-29-22/h6-13,18-19,35H,14-17,20H2,1-5H3,(H,37,43)(H,36,38,44);5-12,17-18H,2-4,13-16,19H2,1H3,(H,34,39)(H,33,35,40);6-13,16-17,31H,3-5,14-15,18H2,1-2H3,(H,33,38)(H,32,34,39);4-11,14-15H,12-13,16H2,1-3H3,(H,31,36)(H,30,32,37);3-10,13-14H,11-12,15H2,1-2H3,(H,28,34)(H,31,35)(H,30,32,36);2-9,12-13H,10-11,14H2,1H3,(H2,27,33)(H,30,34)(H,29,31,35)/b35-29-;;31-27-;;;
InChIKeyUGPUDXQUOKGUOD-YEJPEPQASA-N
MW3461.63 g/mol
LogP26.96
Rot. Bonds48

About 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide

5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide (PubChem CID 161086761) has the molecular formula C170H175Cl6N37O20S6 and a molecular weight of 3461.63 g/mol. Its IUPAC name is 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound Name5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide
PubChem CID161086761
Molecular FormulaC170H175Cl6N37O20S6
Molecular Weight3461.63 g/mol
Exact Mass3456.03
IUPAC Name5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide
SMILESCN(C)C(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(N)=O)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CNC(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C
InChIInChI=1S/C33H38ClN7O5S.C30H31ClN6O3S.C29H31ClN6O3S.C27H27ClN6O3S.C26H25ClN6O3S.C25H23ClN6O3S/c1-33(2,3)46-32(45)41-16-14-40(15-17-41)28(42)20-47-24-11-12-26(25(18-24)31(44)38-27-13-10-23(34)19-36-27)37-30(43)22-8-6-21(7-9-22)29(35)39(4)5;1-36-16-13-32-28(36)20-5-7-21(8-6-20)29(39)34-25-11-10-23(41-19-27(38)37-14-3-2-4-15-37)17-24(25)30(40)35-26-12-9-22(31)18-33-26;1-35(2)27(31)19-6-8-20(9-7-19)28(38)33-24-12-11-22(40-18-26(37)36-14-4-3-5-15-36)16-23(24)29(39)34-25-13-10-21(30)17-32-25;1-33(2)24(35)16-38-20-9-10-22(21(14-20)27(37)32-23-11-8-19(28)15-30-23)31-26(36)18-6-4-17(5-7-18)25-29-12-13-34(25)3;1-28-23(34)15-37-19-8-9-21(20(13-19)26(36)32-22-10-7-18(27)14-30-22)31-25(35)17-5-3-16(4-6-17)24-29-11-12-33(24)2;1-32-11-10-28-23(32)15-2-4-16(5-3-15)24(34)30-20-8-7-18(36-14-21(27)33)12-19(20)25(35)31-22-9-6-17(26)13-29-22/h6-13,18-19,35H,14-17,20H2,1-5H3,(H,37,43)(H,36,38,44);5-12,17-18H,2-4,13-16,19H2,1H3,(H,34,39)(H,33,35,40);6-13,16-17,31H,3-5,14-15,18H2,1-2H3,(H,33,38)(H,32,34,39);4-11,14-15H,12-13,16H2,1-3H3,(H,31,36)(H,30,32,37);3-10,13-14H,11-12,15H2,1-2H3,(H,28,34)(H,31,35)(H,30,32,36);2-9,12-13H,10-11,14H2,1H3,(H2,27,33)(H,30,34)(H,29,31,35)/b35-29-;;31-27-;;;
InChIKeyUGPUDXQUOKGUOD-YEJPEPQASA-N
XLogP26.96
TPSA726.09 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds48
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003461.63
LogP ≤ 526.96
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide
CID 11261840
N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 11387875
N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylbenzamide
CID 11422112
tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate
CID 11445329
N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide
CID 21021801
3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;bis(N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide);N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 90748593
N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 157079171
4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 157142467
2-[[4-(2-carbamimidoylphenyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]benzamide
CID 157282611
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 157920138
3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 157926522
2-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 158000264

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide (CID 161086761) is 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide is CN(C)C(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(N)=O)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CNC(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.
What is the InChIKey of 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is UGPUDXQUOKGUOD-YEJPEPQASA-N. The full InChI is InChI=1S/C33H38ClN7O5S.C30H31ClN6O3S.C29H31ClN6O3S.C27H27ClN6O3S.C26H25ClN6O3S.C25H23ClN6O3S/c1-33(2,3)46-32(45)41-16-14-40(15-17-41)28(42)20-47-24-11-12-26(25(18-24)31(44)38-27-13-10-23(34)19-36-27)37-30(43)22-8-6-21(7-9-22)29(35)39(4)5;1-36-16-13-32-28(36)20-5-7-21(8-6-20)29(39)34-25-11-10-23(41-19-27(38)37-14-3-2-4-15-37)17-24(25)30(40)35-26-12-9-22(31)18-33-26;1-35(2)27(31)19-6-8-20(9-7-19)28(38)33-24-12-11-22(40-18-26(37)36-14-4-3-5-15-36)16-23(24)29(39)34-25-13-10-21(30)17-32-25;1-33(2)24(35)16-38-20-9-10-22(21(14-20)27(37)32-23-11-8-19(28)15-30-23)31-26(36)18-6-4-17(5-7-18)25-29-12-13-34(25)3;1-28-23(34)15-37-19-8-9-21(20(13-19)26(36)32-22-10-7-18(27)14-30-22)31-25(35)17-5-3-16(4-6-17)24-29-11-12-33(24)2;1-32-11-10-28-23(32)15-2-4-16(5-3-15)24(34)30-20-8-7-18(36-14-21(27)33)12-19(20)25(35)31-22-9-6-17(26)13-29-22/h6-13,18-19,35H,14-17,20H2,1-5H3,(H,37,43)(H,36,38,44);5-12,17-18H,2-4,13-16,19H2,1H3,(H,34,39)(H,33,35,40);6-13,16-17,31H,3-5,14-15,18H2,1-2H3,(H,33,38)(H,32,34,39);4-11,14-15H,12-13,16H2,1-3H3,(H,31,36)(H,30,32,37);3-10,13-14H,11-12,15H2,1-2H3,(H,28,34)(H,31,35)(H,30,32,36);2-9,12-13H,10-11,14H2,1H3,(H2,27,33)(H,30,34)(H,29,31,35)/b35-29-;;31-27-;;;.
What are the key properties of 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide?
5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 3461.63 g/mol, XLogP of 26.96, 48 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-oxoethyl)sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;tert-butyl 4-[2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetyl]piperazine-1-carboxylate;N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-5-[2-(methylamino)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 161086761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).