N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate

C210H217ClN24O24S7 — CID 159626472

IUPACN-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate
SMILESCCCCN(C1CCc2ccc(NC(=O)c3cccc(C)c3)cc21)S(=O)(=O)c1ccc(CC)cc1.CCc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCc3ccc(NC(=O)c4cccc(C)c4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)/C=C/c4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCCc4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCc4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)c4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4nccn4C)C(=O)COc4ccc(Cl)cc4)cc32)cc1.O.O
InChIInChI=1S/C32H32N2O3S.C31H32N4O3S.C30H31ClN4O4S.C30H30N4O3S.C30H28N4O3S.C29H34N2O3S.C28H26N4O3S.2H2O/c1-3-24-12-17-29(18-13-24)38(36,37)34(22-25-9-5-4-6-10-25)31-19-15-26-14-16-28(21-30(26)31)33-32(35)27-11-7-8-23(2)20-27;1-2-23-12-17-27(18-13-23)39(37,38)34-29-19-15-25-14-16-26(22-28(25)29)35(31-32-20-7-21-33-31)30(36)11-6-10-24-8-4-3-5-9-24;1-3-21-4-13-26(14-5-21)40(37,38)33-28-15-7-22-6-10-24(18-27(22)28)35(19-29-32-16-17-34(29)2)30(36)20-39-25-11-8-23(31)9-12-25;2*1-2-22-9-15-26(16-10-22)38(36,37)33-28-17-13-24-12-14-25(21-27(24)28)34(30-31-19-6-20-32-30)29(35)18-11-23-7-4-3-5-8-23;1-4-6-18-31(35(33,34)26-15-10-22(5-2)11-16-26)28-17-13-23-12-14-25(20-27(23)28)30-29(32)24-9-7-8-21(3)19-24;1-2-20-9-14-24(15-10-20)36(34,35)31-26-16-12-21-11-13-23(19-25(21)26)32(28-29-17-6-18-30-28)27(33)22-7-4-3-5-8-22;;/h4-14,16-18,20-21,31H,3,15,19,22H2,1-2H3,(H,33,35);3-5,7-9,12-14,16-18,20-22,29,34H,2,6,10-11,15,19H2,1H3;4-6,8-14,16-18,28,33H,3,7,15,19-20H2,1-2H3;3-10,12,14-16,19-21,28,33H,2,11,13,17-18H2,1H3;3-12,14-16,18-21,28,33H,2,13,17H2,1H3;7-12,14-16,19-20,28H,4-6,13,17-18H2,1-3H3,(H,30,32);3-11,13-15,17-19,26,31H,2,12,16H2,1H3;2*1H2/b;;;;18-11+;;;;
InChIKeyCKKBYLJYOOHNKA-IJNOUVGWSA-N
MW3721.11 g/mol
LogP37.90
Rot. Bonds61

About N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate

N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate (PubChem CID 159626472) has the molecular formula C210H217ClN24O24S7 and a molecular weight of 3721.11 g/mol. Its IUPAC name is N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate.

Molecular Properties

Compound NameN-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate
PubChem CID159626472
Molecular FormulaC210H217ClN24O24S7
Molecular Weight3721.11 g/mol
Exact Mass3717.42
IUPAC NameN-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate
SMILESCCCCN(C1CCc2ccc(NC(=O)c3cccc(C)c3)cc21)S(=O)(=O)c1ccc(CC)cc1.CCc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCc3ccc(NC(=O)c4cccc(C)c4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)/C=C/c4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCCc4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCc4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)c4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4nccn4C)C(=O)COc4ccc(Cl)cc4)cc32)cc1.O.O
InChIInChI=1S/C32H32N2O3S.C31H32N4O3S.C30H31ClN4O4S.C30H30N4O3S.C30H28N4O3S.C29H34N2O3S.C28H26N4O3S.2H2O/c1-3-24-12-17-29(18-13-24)38(36,37)34(22-25-9-5-4-6-10-25)31-19-15-26-14-16-28(21-30(26)31)33-32(35)27-11-7-8-23(2)20-27;1-2-23-12-17-27(18-13-23)39(37,38)34-29-19-15-25-14-16-26(22-28(25)29)35(31-32-20-7-21-33-31)30(36)11-6-10-24-8-4-3-5-9-24;1-3-21-4-13-26(14-5-21)40(37,38)33-28-15-7-22-6-10-24(18-27(22)28)35(19-29-32-16-17-34(29)2)30(36)20-39-25-11-8-23(31)9-12-25;2*1-2-22-9-15-26(16-10-22)38(36,37)33-28-17-13-24-12-14-25(21-27(24)28)34(30-31-19-6-20-32-30)29(35)18-11-23-7-4-3-5-8-23;1-4-6-18-31(35(33,34)26-15-10-22(5-2)11-16-26)28-17-13-23-12-14-25(20-27(23)28)30-29(32)24-9-7-8-21(3)19-24;1-2-20-9-14-24(15-10-20)36(34,35)31-26-16-12-21-11-13-23(19-25(21)26)32(28-29-17-6-18-30-28)27(33)22-7-4-3-5-8-22;;/h4-14,16-18,20-21,31H,3,15,19,22H2,1-2H3,(H,33,35);3-5,7-9,12-14,16-18,20-22,29,34H,2,6,10-11,15,19H2,1H3;4-6,8-14,16-18,28,33H,3,7,15,19-20H2,1-2H3;3-10,12,14-16,19-21,28,33H,2,11,13,17-18H2,1H3;3-12,14-16,18-21,28,33H,2,13,17H2,1H3;7-12,14-16,19-20,28H,4-6,13,17-18H2,1-3H3,(H,30,32);3-11,13-15,17-19,26,31H,2,12,16H2,1H3;2*1H2/b;;;;18-11+;;;;
InChIKeyCKKBYLJYOOHNKA-IJNOUVGWSA-N
XLogP37.90
TPSA658.53 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds61
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003721.11
LogP ≤ 537.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate with MolForge

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Related Compounds

N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methoxybenzamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;N-[3-[(4-ethylphenyl)sulfonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide;N-[3-[(4-ethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]-3-methoxybenzamide
CID 159317351
N-benzyl-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenylpropanamide
CID 20760113
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(1H-imidazol-2-ylmethyl)-3-phenylpropanamide
CID 20760089
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide
CID 20760086
3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 20760053
N-[8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(4-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 21358997
(3R)-3-(4-fluorophenyl)-N-[(3S)-3-[(3-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]butanamide;(3S)-3-(4-fluorophenyl)-N-[(3R)-3-[(3-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]butanamide;(3S)-3-(4-fluorophenyl)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]butanamide;(3R)-3-(4-fluorophenyl)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]butanamide;(3S)-3-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]butanamide;(3R)-3-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 159428310
(3S)-3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(3-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]butanamide
CID 59063769
3-chloro-N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]benzamide
CID 20754953
trans-(1R,2R)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 91309377
(3S)-3-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(3-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]butanamide
CID 59063658
(3R)-3-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]butanamide
CID 59063713

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate?
The IUPAC name of N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate (CID 159626472) is N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate.
What is the SMILES notation for N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate?
The canonical SMILES for N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate is CCCCN(C1CCc2ccc(NC(=O)c3cccc(C)c3)cc21)S(=O)(=O)c1ccc(CC)cc1.CCc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCc3ccc(NC(=O)c4cccc(C)c4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)/C=C/c4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCCc4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)CCc4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(C(=O)c4ccccc4)c4ncccn4)cc32)cc1.CCc1ccc(S(=O)(=O)NC2CCc3ccc(N(Cc4nccn4C)C(=O)COc4ccc(Cl)cc4)cc32)cc1.O.O.
What is the InChIKey of N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate?
The InChIKey is CKKBYLJYOOHNKA-IJNOUVGWSA-N. The full InChI is InChI=1S/C32H32N2O3S.C31H32N4O3S.C30H31ClN4O4S.C30H30N4O3S.C30H28N4O3S.C29H34N2O3S.C28H26N4O3S.2H2O/c1-3-24-12-17-29(18-13-24)38(36,37)34(22-25-9-5-4-6-10-25)31-19-15-26-14-16-28(21-30(26)31)33-32(35)27-11-7-8-23(2)20-27;1-2-23-12-17-27(18-13-23)39(37,38)34-29-19-15-25-14-16-26(22-28(25)29)35(31-32-20-7-21-33-31)30(36)11-6-10-24-8-4-3-5-9-24;1-3-21-4-13-26(14-5-21)40(37,38)33-28-15-7-22-6-10-24(18-27(22)28)35(19-29-32-16-17-34(29)2)30(36)20-39-25-11-8-23(31)9-12-25;2*1-2-22-9-15-26(16-10-22)38(36,37)33-28-17-13-24-12-14-25(21-27(24)28)34(30-31-19-6-20-32-30)29(35)18-11-23-7-4-3-5-8-23;1-4-6-18-31(35(33,34)26-15-10-22(5-2)11-16-26)28-17-13-23-12-14-25(20-27(23)28)30-29(32)24-9-7-8-21(3)19-24;1-2-20-9-14-24(15-10-20)36(34,35)31-26-16-12-21-11-13-23(19-25(21)26)32(28-29-17-6-18-30-28)27(33)22-7-4-3-5-8-22;;/h4-14,16-18,20-21,31H,3,15,19,22H2,1-2H3,(H,33,35);3-5,7-9,12-14,16-18,20-22,29,34H,2,6,10-11,15,19H2,1H3;4-6,8-14,16-18,28,33H,3,7,15,19-20H2,1-2H3;3-10,12,14-16,19-21,28,33H,2,11,13,17-18H2,1H3;3-12,14-16,18-21,28,33H,2,13,17H2,1H3;7-12,14-16,19-20,28H,4-6,13,17-18H2,1-3H3,(H,30,32);3-11,13-15,17-19,26,31H,2,12,16H2,1H3;2*1H2/b;;;;18-11+;;;;.
What are the key properties of N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate?
N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate has a molecular weight of 3721.11 g/mol, XLogP of 37.90, 61 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;N-[3-[butyl-(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide;2-(4-chlorophenoxy)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-phenyl-N-pyrimidin-2-ylbutanamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylpropanamide;(E)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrimidin-2-ylprop-2-enamide;N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-pyrimidin-2-ylbenzamide;dihydrate is sourced from PubChem (CID 159626472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).