(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

C154H146Cl2N18O20S6 — CID 157101112

About (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

(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 (PubChem CID 157101112) has the molecular formula C154H146Cl2N18O20S6 and a molecular weight of 2832.28 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 157101112
• Molecular Formula: C154H146Cl2N18O20S6
• Molecular Weight: 2832.28 g/mol
• Exact Mass: 2828.87
• IUPAC Name: (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
• SMILES: CC[C@H](NC(=O)O[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.CC[C@H](OC(=O)N[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cccnc1.C[C@H](NC(=O)OC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](NC(=O)OCc1ccc(C(=O)O)cc1)c1ccc(C(=O)Nc2ccccc2S)cc1.O=C(N[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1)OCc1cnccc1Cl.O=C(N[C@]1(c2ccc(C(=O)Nc3ccccc3S)cc2)CCNC1)OCc1cccnc1
• InChI: InChI=1S/C29H26ClN3O3S.C27H22ClN3O3S.C26H27N3O3S.C24H24N4O3S.C24H25N3O3S.C24H22N2O5S/c1-2-24(19-12-14-21(15-13-19)28(34)32-25-10-6-7-11-26(25)37)33-29(35)36-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-34-27(33)31-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(32)30-23-8-4-5-9-24(23)35;1-18(28-25(31)32-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(30)29-22-8-2-3-9-23(22)33;29-22(27-20-5-1-2-6-21(20)32)18-7-9-19(10-8-18)24(11-13-26-16-24)28-23(30)31-15-17-4-3-12-25-14-17;1-3-21(19-7-6-14-25-15-19)30-24(29)26-16(2)17-10-12-18(13-11-17)23(28)27-20-8-4-5-9-22(20)31;1-15(25-24(30)31-14-16-6-8-19(9-7-16)23(28)29)17-10-12-18(13-11-17)22(27)26-20-4-2-3-5-21(20)32/h3-18,24,27,37H,2H2,1H3,(H,32,34)(H,33,35);1-16,25,35H,17H2,(H,30,32)(H,31,33);2-3,6-13,16-18,33H,4-5,14-15H2,1H3,(H,28,31)(H,29,30);1-10,12,14,26,32H,11,13,15-16H2,(H,27,29)(H,28,30);4-16,21,31H,3H2,1-2H3,(H,26,29)(H,27,28);2-13,15,32H,14H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t24-,27-;25-;18-;24-;16-,21-;15-/m000100/s1
• InChIKey: AFTSNAZDBPZJQJ-OWQUKZPXSA-N
• XLogP: 33.63
• TPSA: 518.36 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 31
• Rotatable Bonds: 41
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2832.28
LogP ≤ 5	33.63
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC[C@H](NC(=O)O[C@@H](c1ccccc1)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2S)cc1.CC[C@H](OC(=O)N[C@@H](C)c1ccc(C(=O)Nc2ccccc2S)cc1)c1cccnc1.C[C@H](NC(=O)OC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2S)cc1.C[C@H](NC(=O)OCc1ccc(C(=O)O)cc1)c1ccc(C(=O)Nc2ccccc2S)cc1.O=C(N[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2S)cc1)OCc1cnccc1Cl.O=C(N[C@]1(c2ccc(C(=O)Nc3ccccc3S)cc2)CCNC1)OCc1cccnc1.

What is the InChIKey of (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?

The InChIKey is AFTSNAZDBPZJQJ-OWQUKZPXSA-N. The full InChI is InChI=1S/C29H26ClN3O3S.C27H22ClN3O3S.C26H27N3O3S.C24H24N4O3S.C24H25N3O3S.C24H22N2O5S/c1-2-24(19-12-14-21(15-13-19)28(34)32-25-10-6-7-11-26(25)37)33-29(35)36-27(20-8-4-3-5-9-20)22-16-23(30)18-31-17-22;28-22-14-15-29-16-21(22)17-34-27(33)31-25(18-6-2-1-3-7-18)19-10-12-20(13-11-19)26(32)30-23-8-4-5-9-24(23)35;1-18(28-25(31)32-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(30)29-22-8-2-3-9-23(22)33;29-22(27-20-5-1-2-6-21(20)32)18-7-9-19(10-8-18)24(11-13-26-16-24)28-23(30)31-15-17-4-3-12-25-14-17;1-3-21(19-7-6-14-25-15-19)30-24(29)26-16(2)17-10-12-18(13-11-17)23(28)27-20-8-4-5-9-22(20)31;1-15(25-24(30)31-14-16-6-8-19(9-7-16)23(28)29)17-10-12-18(13-11-17)22(27)26-20-4-2-3-5-21(20)32/h3-18,24,27,37H,2H2,1H3,(H,32,34)(H,33,35);1-16,25,35H,17H2,(H,30,32)(H,31,33);2-3,6-13,16-18,33H,4-5,14-15H2,1H3,(H,28,31)(H,29,30);1-10,12,14,26,32H,11,13,15-16H2,(H,27,29)(H,28,30);4-16,21,31H,3H2,1-2H3,(H,26,29)(H,27,28);2-13,15,32H,14H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t24-,27-;25-;18-;24-;16-,21-;15-/m000100/s1.

What are the key properties of (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?

(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 has a molecular weight of 2832.28 g/mol, XLogP of 33.63, 41 rotatable bonds, 20 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 157101112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).