2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide

C140H138F14N14O21S5 — CID 162264788

IUPAC2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
SMILESCCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc3c(c2)OC(F)(F)O3)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21
InChIInChI=1S/C29H29F3N2O4S.2C28H28F3N3O4S.C28H27F2N3O6S.C27H26F3N3O3S/c1-3-34-24(15-19-5-10-23(11-6-19)29(30,31)32)17-22-16-21(9-14-27(22)34)28(36)33-26(18-35)20-7-12-25(13-8-20)39(37,38)4-2;2*1-3-34-22(13-18-5-8-21(9-6-18)28(29,30)31)15-20-14-19(7-12-26(20)34)27(36)33-25(17-35)24-11-10-23(16-32-24)39(37,38)4-2;1-3-33-20(11-17-5-10-25-26(12-17)39-28(29,30)38-25)14-19-13-18(6-9-24(19)33)27(35)32-23(16-34)22-8-7-21(15-31-22)40(36,37)4-2;1-3-33-23(13-18-5-8-21(9-6-18)27(28,29)30)15-20-14-19(7-12-25(20)33)26(34)32-16-22-10-11-24(17-31-22)37(35,36)4-2/h5-14,16-17,26,35H,3-4,15,18H2,1-2H3,(H,33,36);2*5-12,14-16,25,35H,3-4,13,17H2,1-2H3,(H,33,36);5-10,12-15,23,34H,3-4,11,16H2,1-2H3,(H,32,35);5-12,14-15,17H,3-4,13,16H2,1-2H3,(H,32,34)/t26-;2*25-;23-;/m0100./s1
InChIKeyZZTFFZHQQFTRCW-CVLWBVMXSA-N
MW2779.03 g/mol
LogP24.99
Rot. Bonds44

About 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide

2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide (PubChem CID 162264788) has the molecular formula C140H138F14N14O21S5 and a molecular weight of 2779.03 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
PubChem CID162264788
Molecular FormulaC140H138F14N14O21S5
Molecular Weight2779.03 g/mol
Exact Mass2776.85
IUPAC Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
SMILESCCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc3c(c2)OC(F)(F)O3)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21
InChIInChI=1S/C29H29F3N2O4S.2C28H28F3N3O4S.C28H27F2N3O6S.C27H26F3N3O3S/c1-3-34-24(15-19-5-10-23(11-6-19)29(30,31)32)17-22-16-21(9-14-27(22)34)28(36)33-26(18-35)20-7-12-25(13-8-20)39(37,38)4-2;2*1-3-34-22(13-18-5-8-21(9-6-18)28(29,30)31)15-20-14-19(7-12-26(20)34)27(36)33-25(17-35)24-11-10-23(16-32-24)39(37,38)4-2;1-3-33-20(11-17-5-10-25-26(12-17)39-28(29,30)38-25)14-19-13-18(6-9-24(19)33)27(35)32-23(16-34)22-8-7-21(15-31-22)40(36,37)4-2;1-3-33-23(13-18-5-8-21(9-6-18)27(28,29)30)15-20-14-19(7-12-25(20)33)26(34)32-16-22-10-11-24(17-31-22)37(35,36)4-2/h5-14,16-17,26,35H,3-4,15,18H2,1-2H3,(H,33,36);2*5-12,14-16,25,35H,3-4,13,17H2,1-2H3,(H,33,36);5-10,12-15,23,34H,3-4,11,16H2,1-2H3,(H,32,35);5-12,14-15,17H,3-4,13,16H2,1-2H3,(H,32,34)/t26-;2*25-;23-;/m0100./s1
InChIKeyZZTFFZHQQFTRCW-CVLWBVMXSA-N
XLogP24.99
TPSA491.79 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds44
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002779.03
LogP ≤ 524.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide with MolForge

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Related Compounds

2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonylpyridin-2-yl)-2-hydroxyethyl]indole-5-carboxamide
CID 126556081
2-[[3,4-bis(fluoromethoxy)phenyl]methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide
CID 135301165
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide
CID 155162547
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[1-(5-ethylsulfanyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide
CID 155178392
(2R)-2-amino-2-(5-ethylsulfonyl-2-pyridinyl)ethanol;1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-methylbenzimidazole-5-carboxamide;1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-methylbenzimidazole-5-carboxamide;1-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-2-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 157474254
N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide
CID 158717991
(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-6-[(4-cyanophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-[(3S)-oxolan-3-yl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-6-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylidene-1-oxothian-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 159068574
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;2-[[4-(difluoromethoxy)phenyl]methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 159868877
2-[(4-chlorophenyl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;2-[[3-(difluoromethoxy)phenyl]methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;2-[[4-(difluoromethoxy)phenyl]methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indole-5-carboxamide
CID 160051682
1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide;bis(1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide)
CID 160931482
2-[(4-chlorophenyl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;2-[[3-(difluoromethoxy)phenyl]methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indole-5-carboxamide
CID 161078514
2-[(4-chlorophenyl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;2-[[3-(difluoromethoxy)phenyl]methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;2-[[4-(difluoromethoxy)phenyl]methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide
CID 161123036

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide (CID 162264788) is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide is CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc(C(F)(F)F)cc2)cc2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21.CCn1c(Cc2ccc3c(c2)OC(F)(F)O3)cc2cc(C(=O)N[C@@H](CO)c3ccc(S(=O)(=O)CC)cn3)ccc21.
What is the InChIKey of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The InChIKey is ZZTFFZHQQFTRCW-CVLWBVMXSA-N. The full InChI is InChI=1S/C29H29F3N2O4S.2C28H28F3N3O4S.C28H27F2N3O6S.C27H26F3N3O3S/c1-3-34-24(15-19-5-10-23(11-6-19)29(30,31)32)17-22-16-21(9-14-27(22)34)28(36)33-26(18-35)20-7-12-25(13-8-20)39(37,38)4-2;2*1-3-34-22(13-18-5-8-21(9-6-18)28(29,30)31)15-20-14-19(7-12-26(20)34)27(36)33-25(17-35)24-11-10-23(16-32-24)39(37,38)4-2;1-3-33-20(11-17-5-10-25-26(12-17)39-28(29,30)38-25)14-19-13-18(6-9-24(19)33)27(35)32-23(16-34)22-8-7-21(15-31-22)40(36,37)4-2;1-3-33-23(13-18-5-8-21(9-6-18)27(28,29)30)15-20-14-19(7-12-25(20)33)26(34)32-16-22-10-11-24(17-31-22)37(35,36)4-2/h5-14,16-17,26,35H,3-4,15,18H2,1-2H3,(H,33,36);2*5-12,14-16,25,35H,3-4,13,17H2,1-2H3,(H,33,36);5-10,12-15,23,34H,3-4,11,16H2,1-2H3,(H,32,35);5-12,14-15,17H,3-4,13,16H2,1-2H3,(H,32,34)/t26-;2*25-;23-;/m0100./s1.
What are the key properties of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide has a molecular weight of 2779.03 g/mol, XLogP of 24.99, 44 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1S)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 162264788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).