[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate

C179H174Cl2F2N22O21S7 — CID 158662805

IUPAC[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cccnc1.CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cncc(F)c1.CC[C@H](OC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2S)cc1.O=C(NCc1cnccc1Cl)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C29H26ClN3O3S.C27H22ClN3O3S.C26H27N3O3S.C25H26N4O3S.2C24H24FN3O3S.C24H25N3O3S/c1-2-25(19-12-14-21(15-13-19)28(34)32-24-10-6-7-11-26(24)37)36-29(35)33-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-30-27(33)34-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(32)31-23-8-4-5-9-24(23)35;1-18(32-25(31)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(30)28-22-8-2-3-9-23(22)33;1-17(32-24(31)29-25(12-14-27-16-25)20-5-4-13-26-15-20)18-8-10-19(11-9-18)23(30)28-21-6-2-3-7-22(21)33;1-3-21(31-24(30)27-15(2)18-12-19(25)14-26-13-18)16-8-10-17(11-9-16)23(29)28-20-6-4-5-7-22(20)32;1-3-20(18-12-19(25)14-26-13-18)28-24(30)31-15(2)16-8-10-17(11-9-16)23(29)27-21-6-4-5-7-22(21)32;1-3-20(19-7-6-14-25-15-19)27-24(29)30-16(2)17-10-12-18(13-11-17)23(28)26-21-8-4-5-9-22(21)31/h3-18,25,27,37H,2H2,1H3,(H,32,34)(H,33,35);1-16,25,35H,17H2,(H,30,33)(H,31,32);2-3,6-13,16-18,33H,4-5,14-15H2,1H3,(H,28,30)(H,29,31);2-11,13,15,17,27,33H,12,14,16H2,1H3,(H,28,30)(H,29,31);4-15,21,32H,3H2,1-2H3,(H,27,30)(H,28,29);4-15,20,32H,3H2,1-2H3,(H,27,29)(H,28,30);4-16,20,31H,3H2,1-2H3,(H,26,28)(H,27,29)/t25-,27-;25-;18-;17-,25-;15-,21-;15-,20-;16-,20-/m0000000/s1
InChIKeyICYVWSHNOQCXDB-MLGDYSRNSA-N
MW3302.86 g/mol
LogP40.67
Rot. Bonds48

About [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate

[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate (PubChem CID 158662805) has the molecular formula C179H174Cl2F2N22O21S7 and a molecular weight of 3302.86 g/mol. Its IUPAC name is [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Name[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
PubChem CID158662805
Molecular FormulaC179H174Cl2F2N22O21S7
Molecular Weight3302.86 g/mol
Exact Mass3299.06
IUPAC Name[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cccnc1.CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cncc(F)c1.CC[C@H](OC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2S)cc1.O=C(NCc1cnccc1Cl)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1
InChIInChI=1S/C29H26ClN3O3S.C27H22ClN3O3S.C26H27N3O3S.C25H26N4O3S.2C24H24FN3O3S.C24H25N3O3S/c1-2-25(19-12-14-21(15-13-19)28(34)32-24-10-6-7-11-26(24)37)36-29(35)33-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-30-27(33)34-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(32)31-23-8-4-5-9-24(23)35;1-18(32-25(31)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(30)28-22-8-2-3-9-23(22)33;1-17(32-24(31)29-25(12-14-27-16-25)20-5-4-13-26-15-20)18-8-10-19(11-9-18)23(30)28-21-6-2-3-7-22(21)33;1-3-21(31-24(30)27-15(2)18-12-19(25)14-26-13-18)16-8-10-17(11-9-16)23(29)28-20-6-4-5-7-22(20)32;1-3-20(18-12-19(25)14-26-13-18)28-24(30)31-15(2)16-8-10-17(11-9-16)23(29)27-21-6-4-5-7-22(21)32;1-3-20(19-7-6-14-25-15-19)27-24(29)30-16(2)17-10-12-18(13-11-17)23(28)26-21-8-4-5-9-22(21)31/h3-18,25,27,37H,2H2,1H3,(H,32,34)(H,33,35);1-16,25,35H,17H2,(H,30,33)(H,31,32);2-3,6-13,16-18,33H,4-5,14-15H2,1H3,(H,28,30)(H,29,31);2-11,13,15,17,27,33H,12,14,16H2,1H3,(H,28,30)(H,29,31);4-15,21,32H,3H2,1-2H3,(H,27,30)(H,28,29);4-15,20,32H,3H2,1-2H3,(H,27,29)(H,28,30);4-16,20,31H,3H2,1-2H3,(H,26,28)(H,27,29)/t25-,27-;25-;18-;17-,25-;15-,21-;15-,20-;16-,20-/m0000000/s1
InChIKeyICYVWSHNOQCXDB-MLGDYSRNSA-N
XLogP40.67
TPSA574.27 Ų
H-Bond Donors22
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003302.86
LogP ≤ 540.67
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate with MolForge

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Related Compounds

(4-chloro-3-pyridinyl)methyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(S)-(5-chloro-3-pyridinyl)-phenylmethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(3S)-3-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]pyrrolidin-3-yl]carbamate;[(1S)-1-pyridin-3-ylpropyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;4-[[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamoyloxymethyl]benzoic acid
CID 157101112
[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 157388046
4-[[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]carbamoyloxymethyl]benzoic acid;[(S)-(3-chlorophenyl)-phenylmethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]carbamate;(4-chloro-3-pyridinyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]carbamate;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(3S)-3-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]carbamate
CID 158516567
[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)propyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;[(3R)-3-pyridin-3-ylpyrrolidin-3-yl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate
CID 158615160
[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
CID 158779617
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
CID 158984675

Frequently Asked Questions

What is the IUPAC name of [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
The IUPAC name of [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate (CID 158662805) is [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate.
What is the SMILES notation for [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
The canonical SMILES for [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate is CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cccnc1.CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cncc(F)c1.CC[C@H](OC(=O)N[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2S)cc1.O=C(NCc1cnccc1Cl)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1.
What is the InChIKey of [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
The InChIKey is ICYVWSHNOQCXDB-MLGDYSRNSA-N. The full InChI is InChI=1S/C29H26ClN3O3S.C27H22ClN3O3S.C26H27N3O3S.C25H26N4O3S.2C24H24FN3O3S.C24H25N3O3S/c1-2-25(19-12-14-21(15-13-19)28(34)32-24-10-6-7-11-26(24)37)36-29(35)33-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-30-27(33)34-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(32)31-23-8-4-5-9-24(23)35;1-18(32-25(31)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(30)28-22-8-2-3-9-23(22)33;1-17(32-24(31)29-25(12-14-27-16-25)20-5-4-13-26-15-20)18-8-10-19(11-9-18)23(30)28-21-6-2-3-7-22(21)33;1-3-21(31-24(30)27-15(2)18-12-19(25)14-26-13-18)16-8-10-17(11-9-16)23(29)28-20-6-4-5-7-22(20)32;1-3-20(18-12-19(25)14-26-13-18)28-24(30)31-15(2)16-8-10-17(11-9-16)23(29)27-21-6-4-5-7-22(21)32;1-3-20(19-7-6-14-25-15-19)27-24(29)30-16(2)17-10-12-18(13-11-17)23(28)26-21-8-4-5-9-22(21)31/h3-18,25,27,37H,2H2,1H3,(H,32,34)(H,33,35);1-16,25,35H,17H2,(H,30,33)(H,31,32);2-3,6-13,16-18,33H,4-5,14-15H2,1H3,(H,28,30)(H,29,31);2-11,13,15,17,27,33H,12,14,16H2,1H3,(H,28,30)(H,29,31);4-15,21,32H,3H2,1-2H3,(H,27,30)(H,28,29);4-15,20,32H,3H2,1-2H3,(H,27,29)(H,28,30);4-16,20,31H,3H2,1-2H3,(H,26,28)(H,27,29)/t25-,27-;25-;18-;17-,25-;15-,21-;15-,20-;16-,20-/m0000000/s1.
What are the key properties of [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate?
[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate has a molecular weight of 3302.86 g/mol, XLogP of 40.67, 48 rotatable bonds, 22 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate;[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 158662805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).