S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate

C147H127N25O26S12 — CID 158834165

IUPACS-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCc4cccnc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCc4cccnc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(Oc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(Oc4cccnc4)ccc3c2)nc1
InChIInChI=1S/C26H24N4O4S2.C25H23N5O4S2.C25H22N4O4S2.C24H21N5O4S2.C24H19N3O5S2.C23H18N4O5S2/c1-18(31)35-17-24(32)21-8-12-26(28-16-21)30-36(33,34)22-9-10-23-20(15-22)7-11-25(29-23)27-14-13-19-5-3-2-4-6-19;1-17(31)35-16-23(32)20-5-9-25(28-15-20)30-36(33,34)21-6-7-22-19(13-21)4-8-24(29-22)27-12-10-18-3-2-11-26-14-18;1-17(30)34-16-23(31)20-8-12-25(27-15-20)29-35(32,33)21-9-10-22-19(13-21)7-11-24(28-22)26-14-18-5-3-2-4-6-18;1-16(30)34-15-22(31)19-5-9-24(27-14-19)29-35(32,33)20-6-7-21-18(11-20)4-8-23(28-21)26-13-17-3-2-10-25-12-17;1-16(28)33-15-22(29)18-7-11-23(25-14-18)27-34(30,31)20-9-10-21-17(13-20)8-12-24(26-21)32-19-5-3-2-4-6-19;1-15(28)33-14-21(29)17-4-8-22(25-12-17)27-34(30,31)19-6-7-20-16(11-19)5-9-23(26-20)32-18-3-2-10-24-13-18/h2-12,15-16H,13-14,17H2,1H3,(H,27,29)(H,28,30);2-9,11,13-15H,10,12,16H2,1H3,(H,27,29)(H,28,30);2-13,15H,14,16H2,1H3,(H,26,28)(H,27,29);2-12,14H,13,15H2,1H3,(H,26,28)(H,27,29);2-14H,15H2,1H3,(H,25,27);2-13H,14H2,1H3,(H,25,27)
InChIKeyIXKNPRASICCJPO-UHFFFAOYSA-N
MW3044.59 g/mol
LogP25.66
Rot. Bonds54

About S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate

S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate (PubChem CID 158834165) has the molecular formula C147H127N25O26S12 and a molecular weight of 3044.59 g/mol. Its IUPAC name is S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
PubChem CID158834165
Molecular FormulaC147H127N25O26S12
Molecular Weight3044.59 g/mol
Exact Mass3041.60
IUPAC NameS-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCc4cccnc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCc4cccnc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(Oc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(Oc4cccnc4)ccc3c2)nc1
InChIInChI=1S/C26H24N4O4S2.C25H23N5O4S2.C25H22N4O4S2.C24H21N5O4S2.C24H19N3O5S2.C23H18N4O5S2/c1-18(31)35-17-24(32)21-8-12-26(28-16-21)30-36(33,34)22-9-10-23-20(15-22)7-11-25(29-23)27-14-13-19-5-3-2-4-6-19;1-17(31)35-16-23(32)20-5-9-25(28-15-20)30-36(33,34)21-6-7-22-19(13-21)4-8-24(29-22)27-12-10-18-3-2-11-26-14-18;1-17(30)34-16-23(31)20-8-12-25(27-15-20)29-35(32,33)21-9-10-22-19(13-21)7-11-24(28-22)26-14-18-5-3-2-4-6-18;1-16(30)34-15-22(31)19-5-9-24(27-14-19)29-35(32,33)20-6-7-21-18(11-20)4-8-23(28-21)26-13-17-3-2-10-25-12-17;1-16(28)33-15-22(29)18-7-11-23(25-14-18)27-34(30,31)20-9-10-21-17(13-20)8-12-24(26-21)32-19-5-3-2-4-6-19;1-15(28)33-14-21(29)17-4-8-22(25-12-17)27-34(30,31)19-6-7-20-16(11-19)5-9-23(26-20)32-18-3-2-10-24-13-18/h2-12,15-16H,13-14,17H2,1H3,(H,27,29)(H,28,30);2-9,11,13-15H,10,12,16H2,1H3,(H,27,29)(H,28,30);2-13,15H,14,16H2,1H3,(H,26,28)(H,27,29);2-12,14H,13,15H2,1H3,(H,26,28)(H,27,29);2-14H,15H2,1H3,(H,25,27);2-13H,14H2,1H3,(H,25,27)
InChIKeyIXKNPRASICCJPO-UHFFFAOYSA-N
XLogP25.66
TPSA741.79 Ų
H-Bond Donors10
H-Bond Acceptors51
Rotatable Bonds54
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003044.59
LogP ≤ 525.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The IUPAC name of S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate (CID 158834165) is S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The canonical SMILES for S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate is CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCc4cccnc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCc4cccnc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(Oc4ccccc4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(Oc4cccnc4)ccc3c2)nc1.
What is the InChIKey of S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The InChIKey is IXKNPRASICCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S2.C25H23N5O4S2.C25H22N4O4S2.C24H21N5O4S2.C24H19N3O5S2.C23H18N4O5S2/c1-18(31)35-17-24(32)21-8-12-26(28-16-21)30-36(33,34)22-9-10-23-20(15-22)7-11-25(29-23)27-14-13-19-5-3-2-4-6-19;1-17(31)35-16-23(32)20-5-9-25(28-15-20)30-36(33,34)21-6-7-22-19(13-21)4-8-24(29-22)27-12-10-18-3-2-11-26-14-18;1-17(30)34-16-23(31)20-8-12-25(27-15-20)29-35(32,33)21-9-10-22-19(13-21)7-11-24(28-22)26-14-18-5-3-2-4-6-18;1-16(30)34-15-22(31)19-5-9-24(27-14-19)29-35(32,33)20-6-7-21-18(11-20)4-8-23(28-21)26-13-17-3-2-10-25-12-17;1-16(28)33-15-22(29)18-7-11-23(25-14-18)27-34(30,31)20-9-10-21-17(13-20)8-12-24(26-21)32-19-5-3-2-4-6-19;1-15(28)33-14-21(29)17-4-8-22(25-12-17)27-34(30,31)19-6-7-20-16(11-19)5-9-23(26-20)32-18-3-2-10-24-13-18/h2-12,15-16H,13-14,17H2,1H3,(H,27,29)(H,28,30);2-9,11,13-15H,10,12,16H2,1H3,(H,27,29)(H,28,30);2-13,15H,14,16H2,1H3,(H,26,28)(H,27,29);2-12,14H,13,15H2,1H3,(H,26,28)(H,27,29);2-14H,15H2,1H3,(H,25,27);2-13H,14H2,1H3,(H,25,27).
What are the key properties of S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate has a molecular weight of 3044.59 g/mol, XLogP of 25.66, 54 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[6-[[2-(benzylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-phenylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(pyridin-3-ylmethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate is sourced from PubChem (CID 158834165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).