4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane

C170H165F9N38O37S5 — CID 158782525

IUPAC4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cc(C)ns3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(C)nc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccccn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3nc(N)c(-c4ccccc4)s3)c(F)c2)C(=O)O1.CCSc1nnc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1.COc1ccc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cn1.S
InChIInChI=1S/C22H20FN5O4S.C22H19FN4O4.C19H19FN4O5.C19H19FN4O4.3C18H17FN4O4.C17H18FN5O4S2.C17H17FN4O4S.H2S/c1-12(29)25-10-15-11-28(22(31)32-15)14-7-8-16(17(23)9-14)20(30)27-21-26-19(24)18(33-21)13-5-3-2-4-6-13;1-13(28)24-11-17-12-27(22(30)31-17)16-6-7-18(19(23)9-16)21(29)26-15-8-14-4-2-3-5-20(14)25-10-15;1-11(25)21-9-14-10-24(19(27)29-14)13-4-5-15(16(20)7-13)18(26)23-12-3-6-17(28-2)22-8-12;1-11-3-4-13(8-21-11)23-18(26)16-6-5-14(7-17(16)20)24-10-15(28-19(24)27)9-22-12(2)25;2*1-11(24)21-9-14-10-23(18(26)27-14)13-4-5-15(16(19)7-13)17(25)22-12-3-2-6-20-8-12;1-11(24)21-9-13-10-23(18(26)27-13)12-5-6-14(15(19)8-12)17(25)22-16-4-2-3-7-20-16;1-3-28-16-22-21-15(29-16)20-14(25)12-5-4-10(6-13(12)18)23-8-11(27-17(23)26)7-19-9(2)24;1-9-5-15(27-21-9)20-16(24)13-4-3-11(6-14(13)18)22-8-12(26-17(22)25)7-19-10(2)23;/h2-9,15H,10-11,24H2,1H3,(H,25,29)(H,26,27,30);2-10,17H,11-12H2,1H3,(H,24,28)(H,26,29);3-8,14H,9-10H2,1-2H3,(H,21,25)(H,23,26);3-8,15H,9-10H2,1-2H3,(H,22,25)(H,23,26);2*2-8,14H,9-10H2,1H3,(H,21,24)(H,22,25);2-8,13H,9-10H2,1H3,(H,21,24)(H,20,22,25);4-6,11H,3,7-8H2,1-2H3,(H,19,24)(H,20,21,25);3-6,12H,7-8H2,1-2H3,(H,19,23)(H,20,24);1H2/t15-;17-;14-;15-;2*14-;13-;11-;12-;/m000000000./s1
InChIKeyIRGKMGZPBHNRKZ-VOSOTSBDSA-N
MW3663.74 g/mol
LogP21.24
Rot. Bonds49

About 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane

4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane (PubChem CID 158782525) has the molecular formula C170H165F9N38O37S5 and a molecular weight of 3663.74 g/mol. Its IUPAC name is 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane.

Molecular Properties

Compound Name4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane
PubChem CID158782525
Molecular FormulaC170H165F9N38O37S5
Molecular Weight3663.74 g/mol
Exact Mass3661.07
IUPAC Name4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cc(C)ns3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(C)nc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccccn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3nc(N)c(-c4ccccc4)s3)c(F)c2)C(=O)O1.CCSc1nnc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1.COc1ccc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cn1.S
InChIInChI=1S/C22H20FN5O4S.C22H19FN4O4.C19H19FN4O5.C19H19FN4O4.3C18H17FN4O4.C17H18FN5O4S2.C17H17FN4O4S.H2S/c1-12(29)25-10-15-11-28(22(31)32-15)14-7-8-16(17(23)9-14)20(30)27-21-26-19(24)18(33-21)13-5-3-2-4-6-13;1-13(28)24-11-17-12-27(22(30)31-17)16-6-7-18(19(23)9-16)21(29)26-15-8-14-4-2-3-5-20(14)25-10-15;1-11(25)21-9-14-10-24(19(27)29-14)13-4-5-15(16(20)7-13)18(26)23-12-3-6-17(28-2)22-8-12;1-11-3-4-13(8-21-11)23-18(26)16-6-5-14(7-17(16)20)24-10-15(28-19(24)27)9-22-12(2)25;2*1-11(24)21-9-14-10-23(18(26)27-14)13-4-5-15(16(19)7-13)17(25)22-12-3-2-6-20-8-12;1-11(24)21-9-13-10-23(18(26)27-13)12-5-6-14(15(19)8-12)17(25)22-16-4-2-3-7-20-16;1-3-28-16-22-21-15(29-16)20-14(25)12-5-4-10(6-13(12)18)23-8-11(27-17(23)26)7-19-9(2)24;1-9-5-15(27-21-9)20-16(24)13-4-3-11(6-14(13)18)22-8-12(26-17(22)25)7-19-10(2)23;/h2-9,15H,10-11,24H2,1H3,(H,25,29)(H,26,27,30);2-10,17H,11-12H2,1H3,(H,24,28)(H,26,29);3-8,14H,9-10H2,1-2H3,(H,21,25)(H,23,26);3-8,15H,9-10H2,1-2H3,(H,22,25)(H,23,26);2*2-8,14H,9-10H2,1H3,(H,21,24)(H,22,25);2-8,13H,9-10H2,1H3,(H,21,24)(H,20,22,25);4-6,11H,3,7-8H2,1-2H3,(H,19,24)(H,20,21,25);3-6,12H,7-8H2,1-2H3,(H,19,23)(H,20,24);1H2/t15-;17-;14-;15-;2*14-;13-;11-;12-;/m000000000./s1
InChIKeyIRGKMGZPBHNRKZ-VOSOTSBDSA-N
XLogP21.24
TPSA953.81 Ų
H-Bond Donors19
H-Bond Acceptors52
Rotatable Bonds49
Heavy Atoms259
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003663.74
LogP ≤ 521.24
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1052

Analyze 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane?
The IUPAC name of 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane (CID 158782525) is 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane.
What is the SMILES notation for 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane?
The canonical SMILES for 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane is CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cc(C)ns3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(C)nc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccccn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3nc(N)c(-c4ccccc4)s3)c(F)c2)C(=O)O1.CCSc1nnc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1.COc1ccc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cn1.S.
What is the InChIKey of 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane?
The InChIKey is IRGKMGZPBHNRKZ-VOSOTSBDSA-N. The full InChI is InChI=1S/C22H20FN5O4S.C22H19FN4O4.C19H19FN4O5.C19H19FN4O4.3C18H17FN4O4.C17H18FN5O4S2.C17H17FN4O4S.H2S/c1-12(29)25-10-15-11-28(22(31)32-15)14-7-8-16(17(23)9-14)20(30)27-21-26-19(24)18(33-21)13-5-3-2-4-6-13;1-13(28)24-11-17-12-27(22(30)31-17)16-6-7-18(19(23)9-16)21(29)26-15-8-14-4-2-3-5-20(14)25-10-15;1-11(25)21-9-14-10-24(19(27)29-14)13-4-5-15(16(20)7-13)18(26)23-12-3-6-17(28-2)22-8-12;1-11-3-4-13(8-21-11)23-18(26)16-6-5-14(7-17(16)20)24-10-15(28-19(24)27)9-22-12(2)25;2*1-11(24)21-9-14-10-23(18(26)27-14)13-4-5-15(16(19)7-13)17(25)22-12-3-2-6-20-8-12;1-11(24)21-9-13-10-23(18(26)27-13)12-5-6-14(15(19)8-12)17(25)22-16-4-2-3-7-20-16;1-3-28-16-22-21-15(29-16)20-14(25)12-5-4-10(6-13(12)18)23-8-11(27-17(23)26)7-19-9(2)24;1-9-5-15(27-21-9)20-16(24)13-4-3-11(6-14(13)18)22-8-12(26-17(22)25)7-19-10(2)23;/h2-9,15H,10-11,24H2,1H3,(H,25,29)(H,26,27,30);2-10,17H,11-12H2,1H3,(H,24,28)(H,26,29);3-8,14H,9-10H2,1-2H3,(H,21,25)(H,23,26);3-8,15H,9-10H2,1-2H3,(H,22,25)(H,23,26);2*2-8,14H,9-10H2,1H3,(H,21,24)(H,22,25);2-8,13H,9-10H2,1H3,(H,21,24)(H,20,22,25);4-6,11H,3,7-8H2,1-2H3,(H,19,24)(H,20,21,25);3-6,12H,7-8H2,1-2H3,(H,19,23)(H,20,24);1H2/t15-;17-;14-;15-;2*14-;13-;11-;12-;/m000000000./s1.
What are the key properties of 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane?
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane has a molecular weight of 3663.74 g/mol, XLogP of 21.24, 49 rotatable bonds, 19 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(3-methyl-1,2-thiazol-5-yl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-2-ylbenzamide;bis(4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-3-ylbenzamide);4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-quinolin-3-ylbenzamide;sulfane is sourced from PubChem (CID 158782525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).