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

C211H214N24O23S7 — CID 159317351

IUPACN-[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
SMILESCCCCN(C1CCc2ccc(NC(=O)c3cccc(OC)c3)cc21)S(=O)(=O)c1ccc(CC)cc1.CCc1ccc(S(=O)(=O)N(C)C2CCc3ccc(N(Cc4cccc(C)n4)C(=O)c4ccccc4)cc32)cc1.CCc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CCc3ccc(NC(=O)c4cccc(OC)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
InChIInChI=1S/C32H33N3O3S.C31H32N4O3S.C31H31N3O4S.C30H30N4O3S.C30H28N4O3S.C29H34N2O4S.C28H26N4O3S/c1-4-24-13-18-29(19-14-24)39(37,38)34(3)31-20-16-25-15-17-28(21-30(25)31)35(22-27-12-8-9-23(2)33-27)32(36)26-10-6-5-7-11-26;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;1-3-22-9-14-28(15-10-22)39(36,37)34(21-23-6-5-17-32-20-23)30-16-12-24-11-13-26(19-29(24)30)33-31(35)25-7-4-8-27(18-25)38-2;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(36(33,34)26-15-10-21(5-2)11-16-26)28-17-13-22-12-14-24(20-27(22)28)30-29(32)23-8-7-9-25(19-23)35-3;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/h5-15,17-19,21,31H,4,16,20,22H2,1-3H3;3-5,7-9,12-14,16-18,20-22,29,34H,2,6,10-11,15,19H2,1H3;4-11,13-15,17-20,30H,3,12,16,21H2,1-2H3,(H,33,35);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/b;;;;18-11+;;
InChIKeyLDHQNKHQLBLDGH-FZLQFBGESA-N
MW3678.65 g/mol
LogP39.24
Rot. Bonds61

About 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

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 (PubChem CID 159317351) has the molecular formula C211H214N24O23S7 and a molecular weight of 3678.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159317351
Molecular FormulaC211H214N24O23S7
Molecular Weight3678.65 g/mol
Exact Mass3675.44
IUPAC NameN-[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
SMILESCCCCN(C1CCc2ccc(NC(=O)c3cccc(OC)c3)cc21)S(=O)(=O)c1ccc(CC)cc1.CCc1ccc(S(=O)(=O)N(C)C2CCc3ccc(N(Cc4cccc(C)n4)C(=O)c4ccccc4)cc32)cc1.CCc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CCc3ccc(NC(=O)c4cccc(OC)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
InChIInChI=1S/C32H33N3O3S.C31H32N4O3S.C31H31N3O4S.C30H30N4O3S.C30H28N4O3S.C29H34N2O4S.C28H26N4O3S/c1-4-24-13-18-29(19-14-24)39(37,38)34(3)31-20-16-25-15-17-28(21-30(25)31)35(22-27-12-8-9-23(2)33-27)32(36)26-10-6-5-7-11-26;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;1-3-22-9-14-28(15-10-22)39(36,37)34(21-23-6-5-17-32-20-23)30-16-12-24-11-13-26(19-29(24)30)33-31(35)25-7-4-8-27(18-25)38-2;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(36(33,34)26-15-10-21(5-2)11-16-26)28-17-13-22-12-14-24(20-27(22)28)30-29(32)23-8-7-9-25(19-23)35-3;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/h5-15,17-19,21,31H,4,16,20,22H2,1-3H3;3-5,7-9,12-14,16-18,20-22,29,34H,2,6,10-11,15,19H2,1H3;4-11,13-15,17-20,30H,3,12,16,21H2,1-2H3,(H,33,35);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/b;;;;18-11+;;
InChIKeyLDHQNKHQLBLDGH-FZLQFBGESA-N
XLogP39.24
TPSA603.93 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds61
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003678.65
LogP ≤ 539.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-benzyl-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenylpropanamide
CID 20760113
ethane;N-[3-[(4-ethylphenoxy)sulfanyloxyamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 142072500
N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 161466276
3-chloro-N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]benzamide
CID 20754953
cis-(1R,2S)-N-[8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59094245
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 44574214
N-[2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]cyclopropanecarboxamide
CID 20754992
N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide
CID 59984973

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN(C1CCc2ccc(NC(=O)c3cccc(OC)c3)cc21)S(=O)(=O)c1ccc(CC)cc1.CCc1ccc(S(=O)(=O)N(C)C2CCc3ccc(N(Cc4cccc(C)n4)C(=O)c4ccccc4)cc32)cc1.CCc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CCc3ccc(NC(=O)c4cccc(OC)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.
What is the InChIKey of 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?
The InChIKey is LDHQNKHQLBLDGH-FZLQFBGESA-N. The full InChI is InChI=1S/C32H33N3O3S.C31H32N4O3S.C31H31N3O4S.C30H30N4O3S.C30H28N4O3S.C29H34N2O4S.C28H26N4O3S/c1-4-24-13-18-29(19-14-24)39(37,38)34(3)31-20-16-25-15-17-28(21-30(25)31)35(22-27-12-8-9-23(2)33-27)32(36)26-10-6-5-7-11-26;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;1-3-22-9-14-28(15-10-22)39(36,37)34(21-23-6-5-17-32-20-23)30-16-12-24-11-13-26(19-29(24)30)33-31(35)25-7-4-8-27(18-25)38-2;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(36(33,34)26-15-10-21(5-2)11-16-26)28-17-13-22-12-14-24(20-27(22)28)30-29(32)23-8-7-9-25(19-23)35-3;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/h5-15,17-19,21,31H,4,16,20,22H2,1-3H3;3-5,7-9,12-14,16-18,20-22,29,34H,2,6,10-11,15,19H2,1H3;4-11,13-15,17-20,30H,3,12,16,21H2,1-2H3,(H,33,35);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/b;;;;18-11+;;.
What are the key properties of 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?
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 has a molecular weight of 3678.65 g/mol, XLogP of 39.24, 61 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159317351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).