N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one

C212H292N20O30S20 — CID 161023021

IUPACN,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one
SMILESCCC(C)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCC(C)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCC(CC)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1
InChIInChI=1S/2C23H32N2O3S2.2C22H30N2O3S2.2C21H28N2O3S2.C21H30N2O3S2.2C20H28N2O3S2.C19H26N2O3S2/c1-3-4-5-6-10-20(26)16-23-24-22(17-29-23)19-11-13-21(14-12-19)30(27,28)25-15-8-7-9-18(25)2;1-3-4-5-6-7-20(26)16-23-24-22(17-29-23)19-8-10-21(11-9-19)30(27,28)25-14-12-18(2)13-15-25;1-3-4-5-9-19(25)15-22-23-21(16-28-22)18-10-12-20(13-11-18)29(26,27)24-14-7-6-8-17(24)2;1-3-4-5-6-19(25)15-22-23-21(16-28-22)18-7-9-20(10-8-18)29(26,27)24-13-11-17(2)12-14-24;1-4-15(2)20(24)13-21-22-19(14-27-21)17-8-10-18(11-9-17)28(25,26)23-12-6-5-7-16(23)3;1-3-4-8-18(24)14-21-22-20(15-27-21)17-9-11-19(12-10-17)28(25,26)23-13-6-5-7-16(23)2;1-4-7-8-9-10-18(24)15-21-22-20(16-27-21)17-11-13-19(14-12-17)28(25,26)23(5-2)6-3;1-5-15(6-2)19(23)13-20-21-18(14-26-20)16-9-11-17(12-10-16)27(24,25)22(7-3)8-4;1-4-7-8-9-17(23)14-20-21-19(15-26-20)16-10-12-18(13-11-16)27(24,25)22(5-2)6-3;1-5-14(4)18(22)12-19-20-17(13-25-19)15-8-10-16(11-9-15)26(23,24)21(6-2)7-3/h11-14,17-18H,3-10,15-16H2,1-2H3;8-11,17-18H,3-7,12-16H2,1-2H3;10-13,16-17H,3-9,14-15H2,1-2H3;7-10,16-17H,3-6,11-15H2,1-2H3;8-11,14-16H,4-7,12-13H2,1-3H3;9-12,15-16H,3-8,13-14H2,1-2H3;11-14,16H,4-10,15H2,1-3H3;9-12,14-15H,5-8,13H2,1-4H3;10-13,15H,4-9,14H2,1-3H3;8-11,13-14H,5-7,12H2,1-4H3
InChIKeyTYPVMMDYBPCYEC-UHFFFAOYSA-N
MW4242.12 g/mol
LogP47.80
Rot. Bonds95

About N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one

N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one (PubChem CID 161023021) has the molecular formula C212H292N20O30S20 and a molecular weight of 4242.12 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one
PubChem CID161023021
Molecular FormulaC212H292N20O30S20
Molecular Weight4242.12 g/mol
Exact Mass4237.64
IUPAC NameN,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one
SMILESCCC(C)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCC(C)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCC(CC)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1
InChIInChI=1S/2C23H32N2O3S2.2C22H30N2O3S2.2C21H28N2O3S2.C21H30N2O3S2.2C20H28N2O3S2.C19H26N2O3S2/c1-3-4-5-6-10-20(26)16-23-24-22(17-29-23)19-11-13-21(14-12-19)30(27,28)25-15-8-7-9-18(25)2;1-3-4-5-6-7-20(26)16-23-24-22(17-29-23)19-8-10-21(11-9-19)30(27,28)25-14-12-18(2)13-15-25;1-3-4-5-9-19(25)15-22-23-21(16-28-22)18-10-12-20(13-11-18)29(26,27)24-14-7-6-8-17(24)2;1-3-4-5-6-19(25)15-22-23-21(16-28-22)18-7-9-20(10-8-18)29(26,27)24-13-11-17(2)12-14-24;1-4-15(2)20(24)13-21-22-19(14-27-21)17-8-10-18(11-9-17)28(25,26)23-12-6-5-7-16(23)3;1-3-4-8-18(24)14-21-22-20(15-27-21)17-9-11-19(12-10-17)28(25,26)23-13-6-5-7-16(23)2;1-4-7-8-9-10-18(24)15-21-22-20(16-27-21)17-11-13-19(14-12-17)28(25,26)23(5-2)6-3;1-5-15(6-2)19(23)13-20-21-18(14-26-20)16-9-11-17(12-10-16)27(24,25)22(7-3)8-4;1-4-7-8-9-17(23)14-20-21-19(15-26-20)16-10-12-18(13-11-16)27(24,25)22(5-2)6-3;1-5-14(4)18(22)12-19-20-17(13-25-19)15-8-10-16(11-9-15)26(23,24)21(6-2)7-3/h11-14,17-18H,3-10,15-16H2,1-2H3;8-11,17-18H,3-7,12-16H2,1-2H3;10-13,16-17H,3-9,14-15H2,1-2H3;7-10,16-17H,3-6,11-15H2,1-2H3;8-11,14-16H,4-7,12-13H2,1-3H3;9-12,15-16H,3-8,13-14H2,1-2H3;11-14,16H,4-10,15H2,1-3H3;9-12,14-15H,5-8,13H2,1-4H3;10-13,15H,4-9,14H2,1-3H3;8-11,13-14H,5-7,12H2,1-4H3
InChIKeyTYPVMMDYBPCYEC-UHFFFAOYSA-N
XLogP47.80
TPSA673.40 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds95
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004242.12
LogP ≤ 547.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one with MolForge

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Related Compounds

3-ethyl-1-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentan-2-one
CID 157094162
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CID 144915959
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
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2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
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N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
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3-(2-methoxyphenoxy)-1-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]butan-2-one
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2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide
CID 8750581
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41073040
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one?
The IUPAC name of N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one (CID 161023021) is N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one.
What is the SMILES notation for N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one?
The canonical SMILES for N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one is CCC(C)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCC(C)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCC(CC)C(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.CCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.CCCCCCC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.
What is the InChIKey of N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one?
The InChIKey is TYPVMMDYBPCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H32N2O3S2.2C22H30N2O3S2.2C21H28N2O3S2.C21H30N2O3S2.2C20H28N2O3S2.C19H26N2O3S2/c1-3-4-5-6-10-20(26)16-23-24-22(17-29-23)19-11-13-21(14-12-19)30(27,28)25-15-8-7-9-18(25)2;1-3-4-5-6-7-20(26)16-23-24-22(17-29-23)19-8-10-21(11-9-19)30(27,28)25-14-12-18(2)13-15-25;1-3-4-5-9-19(25)15-22-23-21(16-28-22)18-10-12-20(13-11-18)29(26,27)24-14-7-6-8-17(24)2;1-3-4-5-6-19(25)15-22-23-21(16-28-22)18-7-9-20(10-8-18)29(26,27)24-13-11-17(2)12-14-24;1-4-15(2)20(24)13-21-22-19(14-27-21)17-8-10-18(11-9-17)28(25,26)23-12-6-5-7-16(23)3;1-3-4-8-18(24)14-21-22-20(15-27-21)17-9-11-19(12-10-17)28(25,26)23-13-6-5-7-16(23)2;1-4-7-8-9-10-18(24)15-21-22-20(16-27-21)17-11-13-19(14-12-17)28(25,26)23(5-2)6-3;1-5-15(6-2)19(23)13-20-21-18(14-26-20)16-9-11-17(12-10-16)27(24,25)22(7-3)8-4;1-4-7-8-9-17(23)14-20-21-19(15-26-20)16-10-12-18(13-11-16)27(24,25)22(5-2)6-3;1-5-14(4)18(22)12-19-20-17(13-25-19)15-8-10-16(11-9-15)26(23,24)21(6-2)7-3/h11-14,17-18H,3-10,15-16H2,1-2H3;8-11,17-18H,3-7,12-16H2,1-2H3;10-13,16-17H,3-9,14-15H2,1-2H3;7-10,16-17H,3-6,11-15H2,1-2H3;8-11,14-16H,4-7,12-13H2,1-3H3;9-12,15-16H,3-8,13-14H2,1-2H3;11-14,16H,4-10,15H2,1-3H3;9-12,14-15H,5-8,13H2,1-4H3;10-13,15H,4-9,14H2,1-3H3;8-11,13-14H,5-7,12H2,1-4H3.
What are the key properties of N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one?
N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one has a molecular weight of 4242.12 g/mol, XLogP of 47.80, 95 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one is sourced from PubChem (CID 161023021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).