N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C151H180F10N12O24S — CID 158336636

IUPACN-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CNS(=O)(=O)C1CC1.CC(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CO.CCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C[C@@H](O)CO)CC2(C)C)cc1.O=C(Nc1ccc2[nH]c(C3CCC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc2[nH]c(C3CCCC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33F2N3O6S.C28H36N2O4.C25H26F2N2O5.C24H22F2N2O3.C23H20F2N2O3.C22H19F2NO3.12H2/c1-27(2,3)25-13-17-12-19(5-8-22(17)34(25)16-20(35)15-32-41(37,38)21-6-7-21)33-26(36)28(10-11-28)18-4-9-23-24(14-18)40-29(30,31)39-23;1-26(2,3)24-14-18-13-20(9-12-23(18)30(24)15-21(32)16-31)29-25(33)28(17-27(28,4)5)19-7-10-22(34-6)11-8-19;1-14(2)20-10-15-9-17(4-5-19(15)29(20)12-18(31)13-30)28-23(32)24(7-8-24)16-3-6-21-22(11-16)34-25(26,27)33-21;25-24(26)30-20-8-5-16(13-21(20)31-24)23(9-10-23)22(29)27-17-6-7-18-15(11-17)12-19(28-18)14-3-1-2-4-14;24-23(25)29-19-7-4-15(12-20(19)30-23)22(8-9-22)21(28)26-16-5-6-17-14(10-16)11-18(27-17)13-2-1-3-13;1-2-16-11-14-9-13(3-5-17(14)25-16)10-20(26)21(7-8-21)15-4-6-18-19(12-15)28-22(23,24)27-18;;;;;;;;;;;;/h4-5,8-9,12-14,20-21,32,35H,6-7,10-11,15-16H2,1-3H3,(H,33,36);7-14,21,31-32H,15-17H2,1-6H3,(H,29,33);3-6,9-11,14,18,30-31H,7-8,12-13H2,1-2H3,(H,28,32);5-8,11-14,28H,1-4,9-10H2,(H,27,29);4-7,10-13,27H,1-3,8-9H2,(H,26,28);3-6,9,11-12,25H,2,7-8,10H2,1H3;12*1H/t20-;21-,28?;18-;;;;;;;;;;;;;;;/m011.............../s1
InChIKeyGQQVTYLAFNWPME-TZSDGTPPSA-N
MW2769.21 g/mol
LogP32.18
Rot. Bonds36

About N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158336636) has the molecular formula C151H180F10N12O24S and a molecular weight of 2769.21 g/mol. Its IUPAC name is N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158336636
Molecular FormulaC151H180F10N12O24S
Molecular Weight2769.21 g/mol
Exact Mass2767.28
IUPAC NameN-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CNS(=O)(=O)C1CC1.CC(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CO.CCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C[C@@H](O)CO)CC2(C)C)cc1.O=C(Nc1ccc2[nH]c(C3CCC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc2[nH]c(C3CCCC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33F2N3O6S.C28H36N2O4.C25H26F2N2O5.C24H22F2N2O3.C23H20F2N2O3.C22H19F2NO3.12H2/c1-27(2,3)25-13-17-12-19(5-8-22(17)34(25)16-20(35)15-32-41(37,38)21-6-7-21)33-26(36)28(10-11-28)18-4-9-23-24(14-18)40-29(30,31)39-23;1-26(2,3)24-14-18-13-20(9-12-23(18)30(24)15-21(32)16-31)29-25(33)28(17-27(28,4)5)19-7-10-22(34-6)11-8-19;1-14(2)20-10-15-9-17(4-5-19(15)29(20)12-18(31)13-30)28-23(32)24(7-8-24)16-3-6-21-22(11-16)34-25(26,27)33-21;25-24(26)30-20-8-5-16(13-21(20)31-24)23(9-10-23)22(29)27-17-6-7-18-15(11-17)12-19(28-18)14-3-1-2-4-14;24-23(25)29-19-7-4-15(12-20(19)30-23)22(8-9-22)21(28)26-16-5-6-17-14(10-16)11-18(27-17)13-2-1-3-13;1-2-16-11-14-9-13(3-5-17(14)25-16)10-20(26)21(7-8-21)15-4-6-18-19(12-15)28-22(23,24)27-18;;;;;;;;;;;;/h4-5,8-9,12-14,20-21,32,35H,6-7,10-11,15-16H2,1-3H3,(H,33,36);7-14,21,31-32H,15-17H2,1-6H3,(H,29,33);3-6,9-11,14,18,30-31H,7-8,12-13H2,1-2H3,(H,28,32);5-8,11-14,28H,1-4,9-10H2,(H,27,29);4-7,10-13,27H,1-3,8-9H2,(H,26,28);3-6,9,11-12,25H,2,7-8,10H2,1H3;12*1H/t20-;21-,28?;18-;;;;;;;;;;;;;;;/m011.............../s1
InChIKeyGQQVTYLAFNWPME-TZSDGTPPSA-N
XLogP32.18
TPSA473.58 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002769.21
LogP ≤ 532.18
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Analyze N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158336636) is N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CNS(=O)(=O)C1CC1.CC(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@@H](O)CO.CCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C[C@@H](O)CO)CC2(C)C)cc1.O=C(Nc1ccc2[nH]c(C3CCC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(Nc1ccc2[nH]c(C3CCCC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is GQQVTYLAFNWPME-TZSDGTPPSA-N. The full InChI is InChI=1S/C29H33F2N3O6S.C28H36N2O4.C25H26F2N2O5.C24H22F2N2O3.C23H20F2N2O3.C22H19F2NO3.12H2/c1-27(2,3)25-13-17-12-19(5-8-22(17)34(25)16-20(35)15-32-41(37,38)21-6-7-21)33-26(36)28(10-11-28)18-4-9-23-24(14-18)40-29(30,31)39-23;1-26(2,3)24-14-18-13-20(9-12-23(18)30(24)15-21(32)16-31)29-25(33)28(17-27(28,4)5)19-7-10-22(34-6)11-8-19;1-14(2)20-10-15-9-17(4-5-19(15)29(20)12-18(31)13-30)28-23(32)24(7-8-24)16-3-6-21-22(11-16)34-25(26,27)33-21;25-24(26)30-20-8-5-16(13-21(20)31-24)23(9-10-23)22(29)27-17-6-7-18-15(11-17)12-19(28-18)14-3-1-2-4-14;24-23(25)29-19-7-4-15(12-20(19)30-23)22(8-9-22)21(28)26-16-5-6-17-14(10-16)11-18(27-17)13-2-1-3-13;1-2-16-11-14-9-13(3-5-17(14)25-16)10-20(26)21(7-8-21)15-4-6-18-19(12-15)28-22(23,24)27-18;;;;;;;;;;;;/h4-5,8-9,12-14,20-21,32,35H,6-7,10-11,15-16H2,1-3H3,(H,33,36);7-14,21,31-32H,15-17H2,1-6H3,(H,29,33);3-6,9-11,14,18,30-31H,7-8,12-13H2,1-2H3,(H,28,32);5-8,11-14,28H,1-4,9-10H2,(H,27,29);4-7,10-13,27H,1-3,8-9H2,(H,26,28);3-6,9,11-12,25H,2,7-8,10H2,1H3;12*1H/t20-;21-,28?;18-;;;;;;;;;;;;;;;/m011.............../s1.
What are the key properties of N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?
N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2769.21 g/mol, XLogP of 32.18, 36 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-1-[(2R)-3-(cyclopropylsulfonylamino)-2-hydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopentyl-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-propan-2-ylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158336636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).