5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate

C157H188F3N3O22S6 — CID 159523787

IUPAC5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate
SMILESCCCCCC(OCc1ccc(OC)cc1)c1ccc([C@H]2C(=O)CCC2CCCc2ccc(C(=O)OC)s2)cc1.CCCCCC(OCc1ccc(OC)cc1)c1ccc([C@H]2C(OS(=O)(=O)C(F)(F)F)=CCC2CCCc2ccc(C(=O)OC)s2)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)O)s2)[C@H]1c1ccc(C(O)CCCCC)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)OC)s2)[C@H]1c1ccc(C(CCCCC)OCc2ccc(OC)cc2)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)OC)s2)[C@H]1c1ccc(C(O)CCCCC)cc1
InChIInChI=1S/C35H41F3O7S2.C35H41NO4S.C34H42O5S.C27H33NO3S.C26H31NO3S/c1-4-5-6-10-30(44-23-24-11-18-28(42-2)19-12-24)25-13-15-27(16-14-25)33-26(17-21-31(33)45-47(40,41)35(36,37)38)8-7-9-29-20-22-32(46-29)34(39)43-3;1-5-6-7-11-32(40-24-25-12-19-29(38-3)20-13-25)26-14-16-28(17-15-26)34-27(18-22-31(34)36-2)9-8-10-30-21-23-33(41-30)35(37)39-4;1-4-5-6-10-31(39-23-24-11-18-28(37-2)19-12-24)25-13-15-27(16-14-25)33-26(17-21-30(33)35)8-7-9-29-20-22-32(40-29)34(36)38-3;1-4-5-6-10-24(29)19-11-13-21(14-12-19)26-20(15-17-23(26)28-2)8-7-9-22-16-18-25(32-22)27(30)31-3;1-3-4-5-9-23(28)18-10-12-20(13-11-18)25-19(14-16-22(25)27-2)7-6-8-21-15-17-24(31-21)26(29)30/h11-16,18-22,26,30,33H,4-10,17,23H2,1-3H3;12-17,19-23,27,32,34H,5-11,18,24H2,1,3-4H3;11-16,18-20,22,26,31,33H,4-10,17,21,23H2,1-3H3;11-14,16-18,20,24,26,29H,4-10,15H2,1,3H3;10-13,15-17,19,23,25,28H,3-9,14H2,1H3,(H,29,30)/t26?,30?,33-;27?,32?,34-;26?,31?,33-;20?,24?,26-;19?,23?,25-/m00000/s1
InChIKeyMCDCYRHRLPFNLG-RNXQRZJQSA-N
MW2718.63 g/mol
LogP41.10
Rot. Bonds69

About 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate

5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate (PubChem CID 159523787) has the molecular formula C157H188F3N3O22S6 and a molecular weight of 2718.63 g/mol. Its IUPAC name is 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate
PubChem CID159523787
Molecular FormulaC157H188F3N3O22S6
Molecular Weight2718.63 g/mol
Exact Mass2716.20
IUPAC Name5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate
SMILESCCCCCC(OCc1ccc(OC)cc1)c1ccc([C@H]2C(=O)CCC2CCCc2ccc(C(=O)OC)s2)cc1.CCCCCC(OCc1ccc(OC)cc1)c1ccc([C@H]2C(OS(=O)(=O)C(F)(F)F)=CCC2CCCc2ccc(C(=O)OC)s2)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)O)s2)[C@H]1c1ccc(C(O)CCCCC)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)OC)s2)[C@H]1c1ccc(C(CCCCC)OCc2ccc(OC)cc2)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)OC)s2)[C@H]1c1ccc(C(O)CCCCC)cc1
InChIInChI=1S/C35H41F3O7S2.C35H41NO4S.C34H42O5S.C27H33NO3S.C26H31NO3S/c1-4-5-6-10-30(44-23-24-11-18-28(42-2)19-12-24)25-13-15-27(16-14-25)33-26(17-21-31(33)45-47(40,41)35(36,37)38)8-7-9-29-20-22-32(46-29)34(39)43-3;1-5-6-7-11-32(40-24-25-12-19-29(38-3)20-13-25)26-14-16-28(17-15-26)34-27(18-22-31(34)36-2)9-8-10-30-21-23-33(41-30)35(37)39-4;1-4-5-6-10-31(39-23-24-11-18-28(37-2)19-12-24)25-13-15-27(16-14-25)33-26(17-21-30(33)35)8-7-9-29-20-22-32(40-29)34(36)38-3;1-4-5-6-10-24(29)19-11-13-21(14-12-19)26-20(15-17-23(26)28-2)8-7-9-22-16-18-25(32-22)27(30)31-3;1-3-4-5-9-23(28)18-10-12-20(13-11-18)25-19(14-16-22(25)27-2)7-6-8-21-15-17-24(31-21)26(29)30/h11-16,18-22,26,30,33H,4-10,17,23H2,1-3H3;12-17,19-23,27,32,34H,5-11,18,24H2,1,3-4H3;11-16,18-20,22,26,31,33H,4-10,17,21,23H2,1-3H3;11-14,16-18,20,24,26,29H,4-10,15H2,1,3H3;10-13,15-17,19,23,25,28H,3-9,14H2,1H3,(H,29,30)/t26?,30?,33-;27?,32?,34-;26?,31?,33-;20?,24?,26-;19?,23?,25-/m00000/s1
InChIKeyMCDCYRHRLPFNLG-RNXQRZJQSA-N
XLogP41.10
TPSA311.86 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds69
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002718.63
LogP ≤ 541.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate?
The IUPAC name of 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate (CID 159523787) is 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate.
What is the SMILES notation for 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate?
The canonical SMILES for 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate is CCCCCC(OCc1ccc(OC)cc1)c1ccc([C@H]2C(=O)CCC2CCCc2ccc(C(=O)OC)s2)cc1.CCCCCC(OCc1ccc(OC)cc1)c1ccc([C@H]2C(OS(=O)(=O)C(F)(F)F)=CCC2CCCc2ccc(C(=O)OC)s2)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)O)s2)[C@H]1c1ccc(C(O)CCCCC)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)OC)s2)[C@H]1c1ccc(C(CCCCC)OCc2ccc(OC)cc2)cc1.[C-]#[N+]C1=CCC(CCCc2ccc(C(=O)OC)s2)[C@H]1c1ccc(C(O)CCCCC)cc1.
What is the InChIKey of 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate?
The InChIKey is MCDCYRHRLPFNLG-RNXQRZJQSA-N. The full InChI is InChI=1S/C35H41F3O7S2.C35H41NO4S.C34H42O5S.C27H33NO3S.C26H31NO3S/c1-4-5-6-10-30(44-23-24-11-18-28(42-2)19-12-24)25-13-15-27(16-14-25)33-26(17-21-31(33)45-47(40,41)35(36,37)38)8-7-9-29-20-22-32(46-29)34(39)43-3;1-5-6-7-11-32(40-24-25-12-19-29(38-3)20-13-25)26-14-16-28(17-15-26)34-27(18-22-31(34)36-2)9-8-10-30-21-23-33(41-30)35(37)39-4;1-4-5-6-10-31(39-23-24-11-18-28(37-2)19-12-24)25-13-15-27(16-14-25)33-26(17-21-30(33)35)8-7-9-29-20-22-32(40-29)34(36)38-3;1-4-5-6-10-24(29)19-11-13-21(14-12-19)26-20(15-17-23(26)28-2)8-7-9-22-16-18-25(32-22)27(30)31-3;1-3-4-5-9-23(28)18-10-12-20(13-11-18)25-19(14-16-22(25)27-2)7-6-8-21-15-17-24(31-21)26(29)30/h11-16,18-22,26,30,33H,4-10,17,23H2,1-3H3;12-17,19-23,27,32,34H,5-11,18,24H2,1,3-4H3;11-16,18-20,22,26,31,33H,4-10,17,21,23H2,1-3H3;11-14,16-18,20,24,26,29H,4-10,15H2,1,3H3;10-13,15-17,19,23,25,28H,3-9,14H2,1H3,(H,29,30)/t26?,30?,33-;27?,32?,34-;26?,31?,33-;20?,24?,26-;19?,23?,25-/m00000/s1.
What are the key properties of 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate?
5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate has a molecular weight of 2718.63 g/mol, XLogP of 41.10, 69 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylic acid;methyl 5-[3-[(2S)-2-[4-(1-hydroxyhexyl)phenyl]-3-isocyanocyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-3-isocyano-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-oxocyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S)-2-[4-[1-[(4-methoxyphenyl)methoxy]hexyl]phenyl]-3-(trifluoromethylsulfonyloxy)cyclopent-3-en-1-yl]propyl]thiophene-2-carboxylate is sourced from PubChem (CID 159523787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).