[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate

C189H193F3N18O24S7 — CID 159047477

IUPAC[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESCCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(OCCN(C)C)cc1.CCC[C@H](OC(=O)NC(C)(C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(C(=O)OC)cc1.CC[C@H](NC(=O)O[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](NC(=O)O[C@@H](C)c1cccnc1)c1ccc(C(=O)Nc2ccccc2S)cc1.Cc1ccc(COC(=O)N[C@H](CC(F)(F)F)c2ccc(C(=O)Nc3ccccc3S)cc2)cc1.O=C(N[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1)OCc1cccnc1
InChIInChI=1S/C29H35N3O4S.C29H27N3O3S.C29H32N2O5S.C27H23N3O3S.C27H30N2O3S.C25H23F3N2O3S.C23H23N3O3S/c1-4-7-26(22-14-16-24(17-15-22)35-19-18-32(2)3)36-29(34)30-20-21-10-12-23(13-11-21)28(33)31-25-8-5-6-9-27(25)37;1-2-24(20-14-16-22(17-15-20)28(33)31-25-12-6-7-13-26(25)36)32-29(34)35-27(21-9-4-3-5-10-21)23-11-8-18-30-19-23;1-5-8-24(19-11-13-21(14-12-19)27(33)35-4)36-28(34)31-29(2,3)22-17-15-20(16-18-22)26(32)30-23-9-6-7-10-25(23)37;31-26(29-23-10-4-5-11-24(23)34)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)30-27(32)33-18-19-7-6-16-28-17-19;1-3-7-24(21-14-10-19(4-2)11-15-21)32-27(31)28-18-20-12-16-22(17-13-20)26(30)29-23-8-5-6-9-25(23)33;1-16-6-8-17(9-7-16)15-33-24(32)30-21(14-25(26,27)28)18-10-12-19(13-11-18)23(31)29-20-4-2-3-5-22(20)34;1-15(25-23(28)29-16(2)19-6-5-13-24-14-19)17-9-11-18(12-10-17)22(27)26-20-7-3-4-8-21(20)30/h5-6,8-17,26,37H,4,7,18-20H2,1-3H3,(H,30,34)(H,31,33);3-19,24,27,36H,2H2,1H3,(H,31,33)(H,32,34);6-7,9-18,24,37H,5,8H2,1-4H3,(H,30,32)(H,31,34);1-17,25,34H,18H2,(H,29,31)(H,30,32);5-6,8-17,24,33H,3-4,7,18H2,1-2H3,(H,28,31)(H,29,30);2-13,21,34H,14-15H2,1H3,(H,29,31)(H,30,32);3-16,30H,1-2H3,(H,25,28)(H,26,27)/t26-;24-,27-;24-;25-;24-;21-;15-,16-/m1000110/s1
InChIKeyJWVJZDAEXCMPBN-NTDPSXSYSA-N
MW3382.19 g/mol
LogP42.86
Rot. Bonds58

About [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate

[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 159047477) has the molecular formula C189H193F3N18O24S7 and a molecular weight of 3382.19 g/mol. Its IUPAC name is [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID159047477
Molecular FormulaC189H193F3N18O24S7
Molecular Weight3382.19 g/mol
Exact Mass3379.24
IUPAC Name[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESCCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(OCCN(C)C)cc1.CCC[C@H](OC(=O)NC(C)(C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(C(=O)OC)cc1.CC[C@H](NC(=O)O[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](NC(=O)O[C@@H](C)c1cccnc1)c1ccc(C(=O)Nc2ccccc2S)cc1.Cc1ccc(COC(=O)N[C@H](CC(F)(F)F)c2ccc(C(=O)Nc3ccccc3S)cc2)cc1.O=C(N[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1)OCc1cccnc1
InChIInChI=1S/C29H35N3O4S.C29H27N3O3S.C29H32N2O5S.C27H23N3O3S.C27H30N2O3S.C25H23F3N2O3S.C23H23N3O3S/c1-4-7-26(22-14-16-24(17-15-22)35-19-18-32(2)3)36-29(34)30-20-21-10-12-23(13-11-21)28(33)31-25-8-5-6-9-27(25)37;1-2-24(20-14-16-22(17-15-20)28(33)31-25-12-6-7-13-26(25)36)32-29(34)35-27(21-9-4-3-5-10-21)23-11-8-18-30-19-23;1-5-8-24(19-11-13-21(14-12-19)27(33)35-4)36-28(34)31-29(2,3)22-17-15-20(16-18-22)26(32)30-23-9-6-7-10-25(23)37;31-26(29-23-10-4-5-11-24(23)34)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)30-27(32)33-18-19-7-6-16-28-17-19;1-3-7-24(21-14-10-19(4-2)11-15-21)32-27(31)28-18-20-12-16-22(17-13-20)26(30)29-23-8-5-6-9-25(23)33;1-16-6-8-17(9-7-16)15-33-24(32)30-21(14-25(26,27)28)18-10-12-19(13-11-18)23(31)29-20-4-2-3-5-22(20)34;1-15(25-23(28)29-16(2)19-6-5-13-24-14-19)17-9-11-18(12-10-17)22(27)26-20-7-3-4-8-21(20)30/h5-6,8-17,26,37H,4,7,18-20H2,1-3H3,(H,30,34)(H,31,33);3-19,24,27,36H,2H2,1H3,(H,31,33)(H,32,34);6-7,9-18,24,37H,5,8H2,1-4H3,(H,30,32)(H,31,34);1-17,25,34H,18H2,(H,29,31)(H,30,32);5-6,8-17,24,33H,3-4,7,18H2,1-2H3,(H,28,31)(H,29,30);2-13,21,34H,14-15H2,1H3,(H,29,31)(H,30,32);3-16,30H,1-2H3,(H,25,28)(H,26,27)/t26-;24-,27-;24-;25-;24-;21-;15-,16-/m1000110/s1
InChIKeyJWVJZDAEXCMPBN-NTDPSXSYSA-N
XLogP42.86
TPSA549.45 Ų
H-Bond Donors21
H-Bond Acceptors35
Rotatable Bonds58
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003382.19
LogP ≤ 542.86
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[2-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxymethyl]benzoate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamate
CID 157318561
[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate;[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1R)-1-[2-[4-[(2-aminophenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]propyl]benzoate
CID 157340159
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate
CID 159258477
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]carbamate;[(1S)-1-pyridin-3-ylpropyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]carbamate
CID 160993648
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[(1S)-2-methoxy-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-yloxycarbonylamino]ethyl]benzoate;[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate
CID 161175077
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167669587

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate (CID 159047477) is [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate is CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(OCCN(C)C)cc1.CCC[C@H](OC(=O)NC(C)(C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(C(=O)OC)cc1.CC[C@H](NC(=O)O[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](NC(=O)O[C@@H](C)c1cccnc1)c1ccc(C(=O)Nc2ccccc2S)cc1.Cc1ccc(COC(=O)N[C@H](CC(F)(F)F)c2ccc(C(=O)Nc3ccccc3S)cc2)cc1.O=C(N[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1)OCc1cccnc1.
What is the InChIKey of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is JWVJZDAEXCMPBN-NTDPSXSYSA-N. The full InChI is InChI=1S/C29H35N3O4S.C29H27N3O3S.C29H32N2O5S.C27H23N3O3S.C27H30N2O3S.C25H23F3N2O3S.C23H23N3O3S/c1-4-7-26(22-14-16-24(17-15-22)35-19-18-32(2)3)36-29(34)30-20-21-10-12-23(13-11-21)28(33)31-25-8-5-6-9-27(25)37;1-2-24(20-14-16-22(17-15-20)28(33)31-25-12-6-7-13-26(25)36)32-29(34)35-27(21-9-4-3-5-10-21)23-11-8-18-30-19-23;1-5-8-24(19-11-13-21(14-12-19)27(33)35-4)36-28(34)31-29(2,3)22-17-15-20(16-18-22)26(32)30-23-9-6-7-10-25(23)37;31-26(29-23-10-4-5-11-24(23)34)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)30-27(32)33-18-19-7-6-16-28-17-19;1-3-7-24(21-14-10-19(4-2)11-15-21)32-27(31)28-18-20-12-16-22(17-13-20)26(30)29-23-8-5-6-9-25(23)33;1-16-6-8-17(9-7-16)15-33-24(32)30-21(14-25(26,27)28)18-10-12-19(13-11-18)23(31)29-20-4-2-3-5-22(20)34;1-15(25-23(28)29-16(2)19-6-5-13-24-14-19)17-9-11-18(12-10-17)22(27)26-20-7-3-4-8-21(20)30/h5-6,8-17,26,37H,4,7,18-20H2,1-3H3,(H,30,34)(H,31,33);3-19,24,27,36H,2H2,1H3,(H,31,33)(H,32,34);6-7,9-18,24,37H,5,8H2,1-4H3,(H,30,32)(H,31,34);1-17,25,34H,18H2,(H,29,31)(H,30,32);5-6,8-17,24,33H,3-4,7,18H2,1-2H3,(H,28,31)(H,29,30);2-13,21,34H,14-15H2,1H3,(H,29,31)(H,30,32);3-16,30H,1-2H3,(H,25,28)(H,26,27)/t26-;24-,27-;24-;25-;24-;21-;15-,16-/m1000110/s1.
What are the key properties of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate?
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 3382.19 g/mol, XLogP of 42.86, 58 rotatable bonds, 21 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 159047477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).