4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide

C169H223ClF3N9O27S7 — CID 158951178

IUPAC4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)CC2C3CC4CC(C3)CC2C4)cc1.CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccc(C(=O)CC2C3CC4CC(C3)CC2C4)cc1Cl)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CC1C2CC3CC(C2)CC1C3.Cc1cc(F)ccc1S(=O)(=O)NC(C)(C)C(=O)CC1C2CC3CC(C2)CC1C3.Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C(=O)CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H44ClNO4S.C27H33NO3S.C23H31NO4S.C22H30FNO3S.C22H30N2O5S.C21H27F2NO3S.C21H28N2O5S/c1-33(2,32(37)17-28-25-11-20-6-21(13-25)14-26(28)12-20)35-40(38,39)31-4-3-22(15-29(31)34)30(36)16-27-23-7-18-5-19(9-23)10-24(27)8-18;1-27(2,26(29)17-25-22-13-18-12-19(15-22)16-23(25)14-18)28-32(30,31)24-10-8-21(9-11-24)20-6-4-3-5-7-20;1-14(25)17-4-6-20(7-5-17)29(27,28)24-23(2,3)22(26)13-21-18-9-15-8-16(11-18)12-19(21)10-15;1-13-6-18(23)4-5-20(13)28(26,27)24-22(2,3)21(25)12-19-16-8-14-7-15(10-16)11-17(19)9-14;1-13-4-5-18(24(26)27)11-20(13)30(28,29)23-22(2,3)21(25)12-19-16-7-14-6-15(9-16)10-17(19)8-14;1-21(2,24-28(26,27)20-17(22)4-3-5-18(20)23)19(25)11-16-14-7-12-6-13(9-14)10-15(16)8-12;1-21(2,22-29(27,28)19-6-4-3-5-18(19)23(25)26)20(24)12-17-15-8-13-7-14(10-15)11-16(17)9-13/h3-4,15,18-21,23-28,35H,5-14,16-17H2,1-2H3;3-11,18-19,22-23,25,28H,12-17H2,1-2H3;4-7,15-16,18-19,21,24H,8-13H2,1-3H3;4-6,14-17,19,24H,7-12H2,1-3H3;4-5,11,14-17,19,23H,6-10,12H2,1-3H3;3-5,12-16,24H,6-11H2,1-2H3;3-6,13-17,22H,7-12H2,1-2H3
InChIKeyJLLGRNIAIZGTMO-UHFFFAOYSA-N
MW3129.59 g/mol
LogP32.44
Rot. Bonds49

About 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide

4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide (PubChem CID 158951178) has the molecular formula C169H223ClF3N9O27S7 and a molecular weight of 3129.59 g/mol. Its IUPAC name is 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide
PubChem CID158951178
Molecular FormulaC169H223ClF3N9O27S7
Molecular Weight3129.59 g/mol
Exact Mass3126.40
IUPAC Name4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)CC2C3CC4CC(C3)CC2C4)cc1.CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccc(C(=O)CC2C3CC4CC(C3)CC2C4)cc1Cl)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CC1C2CC3CC(C2)CC1C3.Cc1cc(F)ccc1S(=O)(=O)NC(C)(C)C(=O)CC1C2CC3CC(C2)CC1C3.Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C(=O)CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H44ClNO4S.C27H33NO3S.C23H31NO4S.C22H30FNO3S.C22H30N2O5S.C21H27F2NO3S.C21H28N2O5S/c1-33(2,32(37)17-28-25-11-20-6-21(13-25)14-26(28)12-20)35-40(38,39)31-4-3-22(15-29(31)34)30(36)16-27-23-7-18-5-19(9-23)10-24(27)8-18;1-27(2,26(29)17-25-22-13-18-12-19(15-22)16-23(25)14-18)28-32(30,31)24-10-8-21(9-11-24)20-6-4-3-5-7-20;1-14(25)17-4-6-20(7-5-17)29(27,28)24-23(2,3)22(26)13-21-18-9-15-8-16(11-18)12-19(21)10-15;1-13-6-18(23)4-5-20(13)28(26,27)24-22(2,3)21(25)12-19-16-8-14-7-15(10-16)11-17(19)9-14;1-13-4-5-18(24(26)27)11-20(13)30(28,29)23-22(2,3)21(25)12-19-16-7-14-6-15(9-16)10-17(19)8-14;1-21(2,24-28(26,27)20-17(22)4-3-5-18(20)23)19(25)11-16-14-7-12-6-13(9-14)10-15(16)8-12;1-21(2,22-29(27,28)19-6-4-3-5-18(19)23(25)26)20(24)12-17-15-8-13-7-14(10-15)11-16(17)9-13/h3-4,15,18-21,23-28,35H,5-14,16-17H2,1-2H3;3-11,18-19,22-23,25,28H,12-17H2,1-2H3;4-7,15-16,18-19,21,24H,8-13H2,1-3H3;4-6,14-17,19,24H,7-12H2,1-3H3;4-5,11,14-17,19,23H,6-10,12H2,1-3H3;3-5,12-16,24H,6-11H2,1-2H3;3-6,13-17,22H,7-12H2,1-2H3
InChIKeyJLLGRNIAIZGTMO-UHFFFAOYSA-N
XLogP32.44
TPSA563.10 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds49
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003129.59
LogP ≤ 532.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide with MolForge

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Related Compounds

N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-1-(2-nitrophenyl)methanesulfonamide
CID 158105932
N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 148654526
3-methyl-3-[(2-methyl-5-nitrophenyl)sulfonylamino]butanoic acid
CID 64671186
4-[3-[(2,5-difluorophenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
CID 147894696
4-[2-[1-[(2-bromophenyl)sulfonylamino]cyclopropyl]-2-oxoethyl]adamantane-1-carboxamide;4-[2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]-2-oxoethyl]adamantane-1-carboxamide;4-[2-[1-[(2-chlorophenyl)sulfonylamino]cyclopropyl]-2-oxoethyl]adamantane-1-carboxamide;4-[3-[(2-cyanophenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide;4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide;4-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide;4-[3-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 159625063
2-(2-fluorophenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26203624
3-fluoro-4-methyl-N-(2-methyl-4-nitrophenyl)sulfonylbenzamide
CID 60526441
(2-chloro-6-fluorophenyl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 38118385
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene;1-phenylethanone
CID 87931041
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 103835995
1-[3-fluoro-4-[4-(2-methyl-6-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 55904136

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide (CID 158951178) is 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)CC2C3CC4CC(C3)CC2C4)cc1.CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccc(C(=O)CC2C3CC4CC(C3)CC2C4)cc1Cl)C(=O)CC1C2CC3CC(C2)CC1C3.CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CC1C2CC3CC(C2)CC1C3.Cc1cc(F)ccc1S(=O)(=O)NC(C)(C)C(=O)CC1C2CC3CC(C2)CC1C3.Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C(=O)CC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide?
The InChIKey is JLLGRNIAIZGTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44ClNO4S.C27H33NO3S.C23H31NO4S.C22H30FNO3S.C22H30N2O5S.C21H27F2NO3S.C21H28N2O5S/c1-33(2,32(37)17-28-25-11-20-6-21(13-25)14-26(28)12-20)35-40(38,39)31-4-3-22(15-29(31)34)30(36)16-27-23-7-18-5-19(9-23)10-24(27)8-18;1-27(2,26(29)17-25-22-13-18-12-19(15-22)16-23(25)14-18)28-32(30,31)24-10-8-21(9-11-24)20-6-4-3-5-7-20;1-14(25)17-4-6-20(7-5-17)29(27,28)24-23(2,3)22(26)13-21-18-9-15-8-16(11-18)12-19(21)10-15;1-13-6-18(23)4-5-20(13)28(26,27)24-22(2,3)21(25)12-19-16-8-14-7-15(10-16)11-17(19)9-14;1-13-4-5-18(24(26)27)11-20(13)30(28,29)23-22(2,3)21(25)12-19-16-7-14-6-15(9-16)10-17(19)8-14;1-21(2,24-28(26,27)20-17(22)4-3-5-18(20)23)19(25)11-16-14-7-12-6-13(9-14)10-15(16)8-12;1-21(2,22-29(27,28)19-6-4-3-5-18(19)23(25)26)20(24)12-17-15-8-13-7-14(10-15)11-16(17)9-13/h3-4,15,18-21,23-28,35H,5-14,16-17H2,1-2H3;3-11,18-19,22-23,25,28H,12-17H2,1-2H3;4-7,15-16,18-19,21,24H,8-13H2,1-3H3;4-6,14-17,19,24H,7-12H2,1-3H3;4-5,11,14-17,19,23H,6-10,12H2,1-3H3;3-5,12-16,24H,6-11H2,1-2H3;3-6,13-17,22H,7-12H2,1-2H3.
What are the key properties of 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide?
4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide has a molecular weight of 3129.59 g/mol, XLogP of 32.44, 49 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide;4-[2-(2-adamantyl)acetyl]-N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-chlorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2,6-difluorobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-fluoro-2-methylbenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-methyl-5-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide;N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 158951178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).