1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide

C250H266ClF8N53O22S12 — CID 158924848

IUPAC1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESCCCCCCCCNC(=S)NC(=O)c1cccnc1.CCCCCOc1ccc(NC(=S)NC(=O)Cn2ccnc2)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2c(C)nc3ccccn23)cc1F.CCCCCOc1ccc(NC(=S)NC(=O)c2c(C)nc3ccccn23)cn1.CCCCCOc1ccc(NC(=S)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2nn(-c3ccccc3)nc2C)cc1F.CCCCCOc1ccc(NC(=S)NC(=O)c2nnnn2Cc2ccccc2)cc1.CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2)cc1.Cc1cc(C)n2nc(C(=O)NC(=S)Nc3ccc(OCc4ccccc4)cc3)cc2n1.Cc1nn(-c2ccccc2)nc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1.Cc1nn(-c2ccccc2)nc1C(=O)NC(=S)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21N5O2S.C23H22ClF3N4O2S.C23H23F3N4O2S.C23H21N5O2S.C23H19N5O2S.C22H24FN5O2S.C21H23FN4O2S.C21H24N6O2S.C20H23N5O2S.C18H21N3OS.C17H22N4O2S.C15H23N3OS/c1-17-22(28-29(27-17)20-12-6-3-7-13-20)23(30)26-24(32)25-19-11-8-14-21(15-19)31-16-18-9-4-2-5-10-18;1-2-3-4-13-33-18-11-7-16(8-12-18)29-22(34)30-21(32)19-14-28-31(20(19)23(25,26)27)17-9-5-15(24)6-10-17;1-2-3-7-14-32-18-12-10-16(11-13-18)28-22(33)29-21(31)19-15-27-30(20(19)23(24,25)26)17-8-5-4-6-9-17;1-15-12-16(2)28-21(24-15)13-20(27-28)22(29)26-23(31)25-18-8-10-19(11-9-18)30-14-17-6-4-3-5-7-17;1-16-21(27-28(26-16)18-10-4-2-5-11-18)22(29)25-23(31)24-17-9-8-14-20(15-17)30-19-12-6-3-7-13-19;1-3-4-8-13-30-19-12-11-16(14-18(19)23)24-22(31)25-21(29)20-15(2)26-28(27-20)17-9-6-5-7-10-17;1-3-4-7-12-28-17-10-9-15(13-16(17)22)24-21(29)25-20(27)19-14(2)23-18-8-5-6-11-26(18)19;1-2-3-7-14-29-18-12-10-17(11-13-18)22-21(30)23-20(28)19-24-25-26-27(19)15-16-8-5-4-6-9-16;1-3-4-7-12-27-17-10-9-15(13-21-17)23-20(28)24-19(26)18-14(2)22-16-8-5-6-11-25(16)18;1-2-3-4-6-14-8-10-16(11-9-14)20-18(23)21-17(22)15-7-5-12-19-13-15;1-2-3-4-11-23-15-7-5-14(6-8-15)19-17(24)20-16(22)12-21-10-9-18-13-21;1-2-3-4-5-6-7-11-17-15(20)18-14(19)13-9-8-10-16-12-13/h2-15H,16H2,1H3,(H2,25,26,30,32);5-12,14H,2-4,13H2,1H3,(H2,29,30,32,34);4-6,8-13,15H,2-3,7,14H2,1H3,(H2,28,29,31,33);3-13H,14H2,1-2H3,(H2,25,26,29,31);2-15H,1H3,(H2,24,25,29,31);5-7,9-12,14H,3-4,8,13H2,1-2H3,(H2,24,25,29,31);5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,24,25,27,29);4-6,8-13H,2-3,7,14-15H2,1H3,(H2,22,23,28,30);5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,23,24,26,28);5,7-13H,2-4,6H2,1H3,(H2,20,21,22,23);5-10,13H,2-4,11-12H2,1H3,(H2,19,20,22,24);8-10,12H,2-7,11H2,1H3,(H2,17,18,19,20)
InChIKeyJIHOQFABCJSGPZ-UHFFFAOYSA-N
MW4937.47 g/mol
LogP50.65
Rot. Bonds85

About 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide

1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide (PubChem CID 158924848) has the molecular formula C250H266ClF8N53O22S12 and a molecular weight of 4937.47 g/mol. Its IUPAC name is 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide
PubChem CID158924848
Molecular FormulaC250H266ClF8N53O22S12
Molecular Weight4937.47 g/mol
Exact Mass4932.75
IUPAC Name1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESCCCCCCCCNC(=S)NC(=O)c1cccnc1.CCCCCOc1ccc(NC(=S)NC(=O)Cn2ccnc2)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2c(C)nc3ccccn23)cc1F.CCCCCOc1ccc(NC(=S)NC(=O)c2c(C)nc3ccccn23)cn1.CCCCCOc1ccc(NC(=S)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2nn(-c3ccccc3)nc2C)cc1F.CCCCCOc1ccc(NC(=S)NC(=O)c2nnnn2Cc2ccccc2)cc1.CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2)cc1.Cc1cc(C)n2nc(C(=O)NC(=S)Nc3ccc(OCc4ccccc4)cc3)cc2n1.Cc1nn(-c2ccccc2)nc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1.Cc1nn(-c2ccccc2)nc1C(=O)NC(=S)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21N5O2S.C23H22ClF3N4O2S.C23H23F3N4O2S.C23H21N5O2S.C23H19N5O2S.C22H24FN5O2S.C21H23FN4O2S.C21H24N6O2S.C20H23N5O2S.C18H21N3OS.C17H22N4O2S.C15H23N3OS/c1-17-22(28-29(27-17)20-12-6-3-7-13-20)23(30)26-24(32)25-19-11-8-14-21(15-19)31-16-18-9-4-2-5-10-18;1-2-3-4-13-33-18-11-7-16(8-12-18)29-22(34)30-21(32)19-14-28-31(20(19)23(25,26)27)17-9-5-15(24)6-10-17;1-2-3-7-14-32-18-12-10-16(11-13-18)28-22(33)29-21(31)19-15-27-30(20(19)23(24,25)26)17-8-5-4-6-9-17;1-15-12-16(2)28-21(24-15)13-20(27-28)22(29)26-23(31)25-18-8-10-19(11-9-18)30-14-17-6-4-3-5-7-17;1-16-21(27-28(26-16)18-10-4-2-5-11-18)22(29)25-23(31)24-17-9-8-14-20(15-17)30-19-12-6-3-7-13-19;1-3-4-8-13-30-19-12-11-16(14-18(19)23)24-22(31)25-21(29)20-15(2)26-28(27-20)17-9-6-5-7-10-17;1-3-4-7-12-28-17-10-9-15(13-16(17)22)24-21(29)25-20(27)19-14(2)23-18-8-5-6-11-26(18)19;1-2-3-7-14-29-18-12-10-17(11-13-18)22-21(30)23-20(28)19-24-25-26-27(19)15-16-8-5-4-6-9-16;1-3-4-7-12-27-17-10-9-15(13-21-17)23-20(28)24-19(26)18-14(2)22-16-8-5-6-11-25(16)18;1-2-3-4-6-14-8-10-16(11-9-14)20-18(23)21-17(22)15-7-5-12-19-13-15;1-2-3-4-11-23-15-7-5-14(6-8-15)19-17(24)20-16(22)12-21-10-9-18-13-21;1-2-3-4-5-6-7-11-17-15(20)18-14(19)13-9-8-10-16-12-13/h2-15H,16H2,1H3,(H2,25,26,30,32);5-12,14H,2-4,13H2,1H3,(H2,29,30,32,34);4-6,8-13,15H,2-3,7,14H2,1H3,(H2,28,29,31,33);3-13H,14H2,1-2H3,(H2,25,26,29,31);2-15H,1H3,(H2,24,25,29,31);5-7,9-12,14H,3-4,8,13H2,1-2H3,(H2,24,25,29,31);5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,24,25,27,29);4-6,8-13H,2-3,7,14-15H2,1H3,(H2,22,23,28,30);5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,23,24,26,28);5,7-13H,2-4,6H2,1H3,(H2,20,21,22,23);5-10,13H,2-4,11-12H2,1H3,(H2,19,20,22,24);8-10,12H,2-7,11H2,1H3,(H2,17,18,19,20)
InChIKeyJIHOQFABCJSGPZ-UHFFFAOYSA-N
XLogP50.65
TPSA878.51 Ų
H-Bond Donors24
H-Bond Acceptors63
Rotatable Bonds85
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004937.47
LogP ≤ 550.65
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1063

Analyze 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide (CID 158924848) is 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide is CCCCCCCCNC(=S)NC(=O)c1cccnc1.CCCCCOc1ccc(NC(=S)NC(=O)Cn2ccnc2)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2c(C)nc3ccccn23)cc1F.CCCCCOc1ccc(NC(=S)NC(=O)c2c(C)nc3ccccn23)cn1.CCCCCOc1ccc(NC(=S)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1.CCCCCOc1ccc(NC(=S)NC(=O)c2nn(-c3ccccc3)nc2C)cc1F.CCCCCOc1ccc(NC(=S)NC(=O)c2nnnn2Cc2ccccc2)cc1.CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2)cc1.Cc1cc(C)n2nc(C(=O)NC(=S)Nc3ccc(OCc4ccccc4)cc3)cc2n1.Cc1nn(-c2ccccc2)nc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1.Cc1nn(-c2ccccc2)nc1C(=O)NC(=S)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide?
The InChIKey is JIHOQFABCJSGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S.C23H22ClF3N4O2S.C23H23F3N4O2S.C23H21N5O2S.C23H19N5O2S.C22H24FN5O2S.C21H23FN4O2S.C21H24N6O2S.C20H23N5O2S.C18H21N3OS.C17H22N4O2S.C15H23N3OS/c1-17-22(28-29(27-17)20-12-6-3-7-13-20)23(30)26-24(32)25-19-11-8-14-21(15-19)31-16-18-9-4-2-5-10-18;1-2-3-4-13-33-18-11-7-16(8-12-18)29-22(34)30-21(32)19-14-28-31(20(19)23(25,26)27)17-9-5-15(24)6-10-17;1-2-3-7-14-32-18-12-10-16(11-13-18)28-22(33)29-21(31)19-15-27-30(20(19)23(24,25)26)17-8-5-4-6-9-17;1-15-12-16(2)28-21(24-15)13-20(27-28)22(29)26-23(31)25-18-8-10-19(11-9-18)30-14-17-6-4-3-5-7-17;1-16-21(27-28(26-16)18-10-4-2-5-11-18)22(29)25-23(31)24-17-9-8-14-20(15-17)30-19-12-6-3-7-13-19;1-3-4-8-13-30-19-12-11-16(14-18(19)23)24-22(31)25-21(29)20-15(2)26-28(27-20)17-9-6-5-7-10-17;1-3-4-7-12-28-17-10-9-15(13-16(17)22)24-21(29)25-20(27)19-14(2)23-18-8-5-6-11-26(18)19;1-2-3-7-14-29-18-12-10-17(11-13-18)22-21(30)23-20(28)19-24-25-26-27(19)15-16-8-5-4-6-9-16;1-3-4-7-12-27-17-10-9-15(13-21-17)23-20(28)24-19(26)18-14(2)22-16-8-5-6-11-25(16)18;1-2-3-4-6-14-8-10-16(11-9-14)20-18(23)21-17(22)15-7-5-12-19-13-15;1-2-3-4-11-23-15-7-5-14(6-8-15)19-17(24)20-16(22)12-21-10-9-18-13-21;1-2-3-4-5-6-7-11-17-15(20)18-14(19)13-9-8-10-16-12-13/h2-15H,16H2,1H3,(H2,25,26,30,32);5-12,14H,2-4,13H2,1H3,(H2,29,30,32,34);4-6,8-13,15H,2-3,7,14H2,1H3,(H2,28,29,31,33);3-13H,14H2,1-2H3,(H2,25,26,29,31);2-15H,1H3,(H2,24,25,29,31);5-7,9-12,14H,3-4,8,13H2,1-2H3,(H2,24,25,29,31);5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,24,25,27,29);4-6,8-13H,2-3,7,14-15H2,1H3,(H2,22,23,28,30);5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,23,24,26,28);5,7-13H,2-4,6H2,1H3,(H2,20,21,22,23);5-10,13H,2-4,11-12H2,1H3,(H2,19,20,22,24);8-10,12H,2-7,11H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide?
1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide has a molecular weight of 4937.47 g/mol, XLogP of 50.65, 85 rotatable bonds, 24 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide;1-(4-chlorophenyl)-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;5,7-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-2-phenyltriazole-4-carboxamide;2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamothioyl]acetamide;2-methyl-N-[(6-pentoxy-3-pyridinyl)carbamothioyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide;5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide;N-(octylcarbamothioyl)pyridine-3-carboxamide;N-[(4-pentoxyphenyl)carbamothioyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[(4-pentylphenyl)carbamothioyl]pyridine-3-carboxamide is sourced from PubChem (CID 158924848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).