(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide

C160H171F2N21O21S7 — CID 167635526

IUPAC(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide
SMILESCOc1cc(/C=C/S(=O)(=O)NC2CCCc3ccccc32)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2cc(C)cc(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2ccc(F)c(C)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2cccc3ccccc23)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)N[C@@H]2CCc3ccccc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN([C@H](C)c3ccc(C)cc3)S2(=O)=O)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CCCN(C(C)c4ccccc4)S3(=O)=O)cc2CO)cn1
InChIInChI=1S/C25H29N3O3S.C24H23N3O3S.C24H27N3O3S.C23H25N3O3S.C22H23N3O3S.2C21H22FN3O3S/c1-18-7-10-22(11-8-18)20(3)28-13-5-6-23(32(28,29)30)14-21-9-12-24(25(15-21)31-4)27-16-19(2)26-17-27;1-18-16-27(17-25-18)23-11-10-19(14-24(23)30-2)12-13-31(28,29)26-15-21-8-5-7-20-6-3-4-9-22(20)21;1-18-15-26(17-25-18)24-11-10-20(13-22(24)16-28)14-23-9-6-12-27(31(23,29)30)19(2)21-7-4-3-5-8-21;1-17-15-26(16-24-17)22-11-10-18(14-23(22)29-2)12-13-30(27,28)25-21-9-5-7-19-6-3-4-8-20(19)21;1-16-14-25(15-23-16)21-10-7-17(13-22(21)28-2)11-12-29(26,27)24-20-9-8-18-5-3-4-6-19(18)20;1-15-10-18(4-6-19(15)22)12-24-29(26,27)9-8-17-5-7-20(21(11-17)28-3)25-13-16(2)23-14-25;1-15-8-18(10-19(22)9-15)12-24-29(26,27)7-6-17-4-5-20(21(11-17)28-3)25-13-16(2)23-14-25/h7-12,14-17,20H,5-6,13H2,1-4H3;3-14,16-17,26H,15H2,1-2H3;3-5,7-8,10-11,13-15,17,19,28H,6,9,12,16H2,1-2H3;3-4,6,8,10-16,21,25H,5,7,9H2,1-2H3;3-7,10-15,20,24H,8-9H2,1-2H3;2*4-11,13-14,24H,12H2,1-3H3/b23-14+;13-12+;23-14+;13-12+;12-11+;9-8+;7-6+/t20-;;;;20-;;/m1...1../s1
InChIKeyOKOUCHOFFYBPNF-GUVYXRKJSA-N
MW2986.72 g/mol
LogP29.04
Rot. Bonds43

About (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide

(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide (PubChem CID 167635526) has the molecular formula C160H171F2N21O21S7 and a molecular weight of 2986.72 g/mol. Its IUPAC name is (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide
PubChem CID167635526
Molecular FormulaC160H171F2N21O21S7
Molecular Weight2986.72 g/mol
Exact Mass2984.10
IUPAC Name(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide
SMILESCOc1cc(/C=C/S(=O)(=O)NC2CCCc3ccccc32)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2cc(C)cc(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2ccc(F)c(C)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2cccc3ccccc23)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)N[C@@H]2CCc3ccccc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN([C@H](C)c3ccc(C)cc3)S2(=O)=O)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CCCN(C(C)c4ccccc4)S3(=O)=O)cc2CO)cn1
InChIInChI=1S/C25H29N3O3S.C24H23N3O3S.C24H27N3O3S.C23H25N3O3S.C22H23N3O3S.2C21H22FN3O3S/c1-18-7-10-22(11-8-18)20(3)28-13-5-6-23(32(28,29)30)14-21-9-12-24(25(15-21)31-4)27-16-19(2)26-17-27;1-18-16-27(17-25-18)23-11-10-19(14-24(23)30-2)12-13-31(28,29)26-15-21-8-5-7-20-6-3-4-9-22(20)21;1-18-15-26(17-25-18)24-11-10-20(13-22(24)16-28)14-23-9-6-12-27(31(23,29)30)19(2)21-7-4-3-5-8-21;1-17-15-26(16-24-17)22-11-10-18(14-23(22)29-2)12-13-30(27,28)25-21-9-5-7-19-6-3-4-8-20(19)21;1-16-14-25(15-23-16)21-10-7-17(13-22(21)28-2)11-12-29(26,27)24-20-9-8-18-5-3-4-6-19(18)20;1-15-10-18(4-6-19(15)22)12-24-29(26,27)9-8-17-5-7-20(21(11-17)28-3)25-13-16(2)23-14-25;1-15-8-18(10-19(22)9-15)12-24-29(26,27)7-6-17-4-5-20(21(11-17)28-3)25-13-16(2)23-14-25/h7-12,14-17,20H,5-6,13H2,1-4H3;3-14,16-17,26H,15H2,1-2H3;3-5,7-8,10-11,13-15,17,19,28H,6,9,12,16H2,1-2H3;3-4,6,8,10-16,21,25H,5,7,9H2,1-2H3;3-7,10-15,20,24H,8-9H2,1-2H3;2*4-11,13-14,24H,12H2,1-3H3/b23-14+;13-12+;23-14+;13-12+;12-11+;9-8+;7-6+/t20-;;;;20-;;/m1...1../s1
InChIKeyOKOUCHOFFYBPNF-GUVYXRKJSA-N
XLogP29.04
TPSA505.96 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002986.72
LogP ≤ 529.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide?
The IUPAC name of (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide (CID 167635526) is (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide?
The canonical SMILES for (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide is COc1cc(/C=C/S(=O)(=O)NC2CCCc3ccccc32)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2cc(C)cc(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2ccc(F)c(C)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)NCc2cccc3ccccc23)ccc1-n1cnc(C)c1.COc1cc(/C=C/S(=O)(=O)N[C@@H]2CCc3ccccc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN([C@H](C)c3ccc(C)cc3)S2(=O)=O)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CCCN(C(C)c4ccccc4)S3(=O)=O)cc2CO)cn1.
What is the InChIKey of (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide?
The InChIKey is OKOUCHOFFYBPNF-GUVYXRKJSA-N. The full InChI is InChI=1S/C25H29N3O3S.C24H23N3O3S.C24H27N3O3S.C23H25N3O3S.C22H23N3O3S.2C21H22FN3O3S/c1-18-7-10-22(11-8-18)20(3)28-13-5-6-23(32(28,29)30)14-21-9-12-24(25(15-21)31-4)27-16-19(2)26-17-27;1-18-16-27(17-25-18)23-11-10-19(14-24(23)30-2)12-13-31(28,29)26-15-21-8-5-7-20-6-3-4-9-22(20)21;1-18-15-26(17-25-18)24-11-10-20(13-22(24)16-28)14-23-9-6-12-27(31(23,29)30)19(2)21-7-4-3-5-8-21;1-17-15-26(16-24-17)22-11-10-18(14-23(22)29-2)12-13-30(27,28)25-21-9-5-7-19-6-3-4-8-20(19)21;1-16-14-25(15-23-16)21-10-7-17(13-22(21)28-2)11-12-29(26,27)24-20-9-8-18-5-3-4-6-19(18)20;1-15-10-18(4-6-19(15)22)12-24-29(26,27)9-8-17-5-7-20(21(11-17)28-3)25-13-16(2)23-14-25;1-15-8-18(10-19(22)9-15)12-24-29(26,27)7-6-17-4-5-20(21(11-17)28-3)25-13-16(2)23-14-25/h7-12,14-17,20H,5-6,13H2,1-4H3;3-14,16-17,26H,15H2,1-2H3;3-5,7-8,10-11,13-15,17,19,28H,6,9,12,16H2,1-2H3;3-4,6,8,10-16,21,25H,5,7,9H2,1-2H3;3-7,10-15,20,24H,8-9H2,1-2H3;2*4-11,13-14,24H,12H2,1-3H3/b23-14+;13-12+;23-14+;13-12+;12-11+;9-8+;7-6+/t20-;;;;20-;;/m1...1../s1.
What are the key properties of (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide?
(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide has a molecular weight of 2986.72 g/mol, XLogP of 29.04, 43 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;[5-[(E)-[1,1-dioxo-2-(1-phenylethyl)thiazinan-6-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenyl]methanol;(E)-N-[(3-fluoro-5-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(E)-N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide;(6E)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-[(1R)-1-(4-methylphenyl)ethyl]thiazinane 1,1-dioxide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide;(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenesulfonamide is sourced from PubChem (CID 167635526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).