N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide

C177H157F6N21O31S12 — CID 160889010

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide
SMILESCCCCC(=O)CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1.COCCS(=O)(=O)C(C(=O)NCC(=O)CC1CC1)c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1.O=C(CNC(=O)C(c1nc2c(F)cc(-c3ccc4c(c3)C(=O)NC4)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)C(=O)NC4)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1)CC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CNC4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1
InChIInChI=1S/C32H28FN3O5S2.C32H30FN3O5S2.C29H31N3O6S2.C28H22F2N4O5S2.2C28H23FN4O5S2/c33-22-5-9-25(10-6-22)43(40,41)29(30(38)34-16-24(37)13-18-1-2-18)31-35-27-12-4-20(15-28(27)42-31)19-3-11-26-21(14-19)17-36(32(26)39)23-7-8-23;1-2-3-4-24(37)17-34-30(38)29(43(40,41)25-11-7-22(33)8-12-25)31-35-27-14-6-20(16-28(27)42-31)19-5-13-26-21(15-19)18-36(32(26)39)23-9-10-23;1-38-10-11-40(36,37)26(27(34)30-15-22(33)12-17-2-3-17)28-31-24-9-5-19(14-25(24)39-28)18-4-8-23-20(13-18)16-32(29(23)35)21-6-7-21;29-17-3-7-19(8-4-17)41(38,39)25(27(37)32-13-23(35)33-18-5-6-18)28-34-24-21(30)10-16(11-22(24)40-28)14-1-2-15-12-31-26(36)20(15)9-14;29-18-3-7-20(8-4-18)40(37,38)25(27(36)31-14-24(34)32-19-5-6-19)28-33-22-10-2-16(12-23(22)39-28)15-1-9-21-17(11-15)13-30-26(21)35;29-18-4-8-20(9-5-18)40(37,38)25(27(36)31-14-24(34)32-19-6-7-19)28-33-22-10-3-16(12-23(22)39-28)15-1-2-17-13-30-26(35)21(17)11-15/h3-6,9-12,14-15,18,23,29H,1-2,7-8,13,16-17H2,(H,34,38);5-8,11-16,23,29H,2-4,9-10,17-18H2,1H3,(H,34,38);4-5,8-9,13-14,17,21,26H,2-3,6-7,10-12,15-16H2,1H3,(H,30,34);1-4,7-11,18,25H,5-6,12-13H2,(H,31,36)(H,32,37)(H,33,35);1-4,7-12,19,25H,5-6,13-14H2,(H,30,35)(H,31,36)(H,32,34);1-5,8-12,19,25H,6-7,13-14H2,(H,30,35)(H,31,36)(H,32,34)
InChIKeySNZZJMKOGQXLRP-UHFFFAOYSA-N
MW3573.11 g/mol
LogP24.41
Rot. Bonds57

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide (PubChem CID 160889010) has the molecular formula C177H157F6N21O31S12 and a molecular weight of 3573.11 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide
PubChem CID160889010
Molecular FormulaC177H157F6N21O31S12
Molecular Weight3573.11 g/mol
Exact Mass3569.79
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide
SMILESCCCCC(=O)CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1.COCCS(=O)(=O)C(C(=O)NCC(=O)CC1CC1)c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1.O=C(CNC(=O)C(c1nc2c(F)cc(-c3ccc4c(c3)C(=O)NC4)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)C(=O)NC4)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1)CC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CNC4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1
InChIInChI=1S/C32H28FN3O5S2.C32H30FN3O5S2.C29H31N3O6S2.C28H22F2N4O5S2.2C28H23FN4O5S2/c33-22-5-9-25(10-6-22)43(40,41)29(30(38)34-16-24(37)13-18-1-2-18)31-35-27-12-4-20(15-28(27)42-31)19-3-11-26-21(14-19)17-36(32(26)39)23-7-8-23;1-2-3-4-24(37)17-34-30(38)29(43(40,41)25-11-7-22(33)8-12-25)31-35-27-14-6-20(16-28(27)42-31)19-5-13-26-21(15-19)18-36(32(26)39)23-9-10-23;1-38-10-11-40(36,37)26(27(34)30-15-22(33)12-17-2-3-17)28-31-24-9-5-19(14-25(24)39-28)18-4-8-23-20(13-18)16-32(29(23)35)21-6-7-21;29-17-3-7-19(8-4-17)41(38,39)25(27(37)32-13-23(35)33-18-5-6-18)28-34-24-21(30)10-16(11-22(24)40-28)14-1-2-15-12-31-26(36)20(15)9-14;29-18-3-7-20(8-4-18)40(37,38)25(27(36)31-14-24(34)32-19-5-6-19)28-33-22-10-2-16(12-23(22)39-28)15-1-9-21-17(11-15)13-30-26(21)35;29-18-4-8-20(9-5-18)40(37,38)25(27(36)31-14-24(34)32-19-6-7-19)28-33-22-10-3-16(12-23(22)39-28)15-1-2-17-13-30-26(35)21(17)11-15/h3-6,9-12,14-15,18,23,29H,1-2,7-8,13,16-17H2,(H,34,38);5-8,11-16,23,29H,2-4,9-10,17-18H2,1H3,(H,34,38);4-5,8-9,13-14,17,21,26H,2-3,6-7,10-12,15-16H2,1H3,(H,30,34);1-4,7-11,18,25H,5-6,12-13H2,(H,31,36)(H,32,37)(H,33,35);1-4,7-12,19,25H,5-6,13-14H2,(H,30,35)(H,31,36)(H,32,34);1-5,8-12,19,25H,6-7,13-14H2,(H,30,35)(H,31,36)(H,32,34)
InChIKeySNZZJMKOGQXLRP-UHFFFAOYSA-N
XLogP24.41
TPSA752.75 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds57
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003573.11
LogP ≤ 524.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide with MolForge

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Related Compounds

N-cyclopropyl-5-(2-methoxyethylsulfonyl)-4-oxo-5-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]pentanamide
CID 159633165
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[6-(2-fluoro-4-pyridinyl)-1,3-benzothiazol-2-yl]-2-(2-methoxyethylsulfonyl)acetamide
CID 122681878
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)-1,3-benzothiazol-2-yl]-2-(2-methoxyethylsulfonyl)acetamide
CID 137374952
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]acetamide
CID 122682115
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 137375125
N-cyclopropyl-4-[2-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-1-(2-methoxyethylsulfonyl)-2-oxoethyl]-1,3-benzothiazol-6-yl]-N-methylbenzamide
CID 118226909
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(2-methylpyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide
CID 122682111
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[5-fluoro-6-[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]-1,3-benzothiazol-2-yl]-2-(2-methoxyethylsulfonyl)acetamide
CID 138374701
methyl N-[4-[2-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-1-(2-methoxyethylsulfonyl)-2-oxoethyl]-1,3-benzothiazol-6-yl]-3-methylphenyl]carbamate
CID 122681852
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[6-fluoro-5-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-benzothiazol-2-yl]-2-(2-methoxyethylsulfonyl)acetamide
CID 122682345
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[5-fluoro-6-(2-methylpyrimidin-5-yl)-1,3-benzothiazol-2-yl]-2-(2-methoxyethylsulfonyl)acetamide
CID 122681961
2-methylsulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-N-[2-oxo-2-(2-propan-2-yloxyethylamino)ethyl]acetamide
CID 118226891

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide (CID 160889010) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide is CCCCC(=O)CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1.COCCS(=O)(=O)C(C(=O)NCC(=O)CC1CC1)c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1.O=C(CNC(=O)C(c1nc2c(F)cc(-c3ccc4c(c3)C(=O)NC4)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)C(=O)NC4)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1)CC1CC1.O=C(CNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CNC4=O)cc2s1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide?
The InChIKey is SNZZJMKOGQXLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O5S2.C32H30FN3O5S2.C29H31N3O6S2.C28H22F2N4O5S2.2C28H23FN4O5S2/c33-22-5-9-25(10-6-22)43(40,41)29(30(38)34-16-24(37)13-18-1-2-18)31-35-27-12-4-20(15-28(27)42-31)19-3-11-26-21(14-19)17-36(32(26)39)23-7-8-23;1-2-3-4-24(37)17-34-30(38)29(43(40,41)25-11-7-22(33)8-12-25)31-35-27-14-6-20(16-28(27)42-31)19-5-13-26-21(15-19)18-36(32(26)39)23-9-10-23;1-38-10-11-40(36,37)26(27(34)30-15-22(33)12-17-2-3-17)28-31-24-9-5-19(14-25(24)39-28)18-4-8-23-20(13-18)16-32(29(23)35)21-6-7-21;29-17-3-7-19(8-4-17)41(38,39)25(27(37)32-13-23(35)33-18-5-6-18)28-34-24-21(30)10-16(11-22(24)40-28)14-1-2-15-12-31-26(36)20(15)9-14;29-18-3-7-20(8-4-18)40(37,38)25(27(36)31-14-24(34)32-19-5-6-19)28-33-22-10-2-16(12-23(22)39-28)15-1-9-21-17(11-15)13-30-26(21)35;29-18-4-8-20(9-5-18)40(37,38)25(27(36)31-14-24(34)32-19-6-7-19)28-33-22-10-3-16(12-23(22)39-28)15-1-2-17-13-30-26(35)21(17)11-15/h3-6,9-12,14-15,18,23,29H,1-2,7-8,13,16-17H2,(H,34,38);5-8,11-16,23,29H,2-4,9-10,17-18H2,1H3,(H,34,38);4-5,8-9,13-14,17,21,26H,2-3,6-7,10-12,15-16H2,1H3,(H,30,34);1-4,7-11,18,25H,5-6,12-13H2,(H,31,36)(H,32,37)(H,33,35);1-4,7-12,19,25H,5-6,13-14H2,(H,30,35)(H,31,36)(H,32,34);1-5,8-12,19,25H,6-7,13-14H2,(H,30,35)(H,31,36)(H,32,34).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide has a molecular weight of 3573.11 g/mol, XLogP of 24.41, 57 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-fluoro-6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-2-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-benzothiazol-2-yl]acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(4-fluorophenyl)sulfonylacetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-N-(3-cyclopropyl-2-oxopropyl)-2-(2-methoxyethylsulfonyl)acetamide;2-[6-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-(4-fluorophenyl)sulfonyl-N-(2-oxohexyl)acetamide is sourced from PubChem (CID 160889010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).