N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide

C211H222N26O31S16 — CID 161464915

IUPACN-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
SMILESCC(=O)CCS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CC(=O)N3CCCCC3)s2)cc1C#N.CC1CN(C(=O)CS(=O)(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.CCC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CCCS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/C29H32N4O4S2.C28H30N4O4S2.C27H29N3O4S2.2C26H27N3O4S2.2C25H25N3O4S2.C25H27N3O3S2/c1-19(2)37-26-12-9-20(15-21(26)16-30)29-31-17-27(38-29)24-8-6-7-23-22(24)10-11-25(23)32-39(35,36)18-28(34)33-13-4-3-5-14-33;1-17(2)36-25-10-7-19(11-20(25)12-29)28-30-13-26(37-28)23-6-4-5-22-21(23)8-9-24(22)31-38(34,35)16-27(33)32-14-18(3)15-32;1-4-20(31)12-13-36(32,33)30-24-10-9-21-22(24)6-5-7-23(21)26-16-29-27(35-26)18-8-11-25(34-17(2)3)19(14-18)15-28;2*1-16(2)33-24-10-7-18(13-19(24)14-27)26-28-15-25(34-26)22-6-4-5-21-20(22)8-9-23(21)29-35(31,32)12-11-17(3)30;2*1-15(2)32-23-10-7-17(11-18(23)12-26)25-27-13-24(33-25)21-6-4-5-20-19(21)8-9-22(20)28-34(30,31)14-16(3)29;1-4-12-33(29,30)28-22-10-9-19-20(22)6-5-7-21(19)24-15-27-25(32-24)17-8-11-23(31-16(2)3)18(13-17)14-26/h6-9,12,15,17,19,25,32H,3-5,10-11,13-14,18H2,1-2H3;4-7,10-11,13,17-18,24,31H,8-9,14-16H2,1-3H3;5-8,11,14,16-17,24,30H,4,9-10,12-13H2,1-3H3;2*4-7,10,13,15-16,23,29H,8-9,11-12H2,1-3H3;2*4-7,10-11,13,15,22,28H,8-9,14H2,1-3H3;5-8,11,13,15-16,22,28H,4,9-10,12H2,1-3H3/t25-;2*24-;2*23-;3*22-/m11010101/s1
InChIKeyWCHJBWJQHMFCTM-CXAHNVGKSA-N
MW4131.32 g/mol
LogP39.75
Rot. Bonds68

About N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide

N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide (PubChem CID 161464915) has the molecular formula C211H222N26O31S16 and a molecular weight of 4131.32 g/mol. Its IUPAC name is N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
PubChem CID161464915
Molecular FormulaC211H222N26O31S16
Molecular Weight4131.32 g/mol
Exact Mass4127.21
IUPAC NameN-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
SMILESCC(=O)CCS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CC(=O)N3CCCCC3)s2)cc1C#N.CC1CN(C(=O)CS(=O)(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.CCC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CCCS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/C29H32N4O4S2.C28H30N4O4S2.C27H29N3O4S2.2C26H27N3O4S2.2C25H25N3O4S2.C25H27N3O3S2/c1-19(2)37-26-12-9-20(15-21(26)16-30)29-31-17-27(38-29)24-8-6-7-23-22(24)10-11-25(23)32-39(35,36)18-28(34)33-13-4-3-5-14-33;1-17(2)36-25-10-7-19(11-20(25)12-29)28-30-13-26(37-28)23-6-4-5-22-21(23)8-9-24(22)31-38(34,35)16-27(33)32-14-18(3)15-32;1-4-20(31)12-13-36(32,33)30-24-10-9-21-22(24)6-5-7-23(21)26-16-29-27(35-26)18-8-11-25(34-17(2)3)19(14-18)15-28;2*1-16(2)33-24-10-7-18(13-19(24)14-27)26-28-15-25(34-26)22-6-4-5-21-20(22)8-9-23(21)29-35(31,32)12-11-17(3)30;2*1-15(2)32-23-10-7-17(11-18(23)12-26)25-27-13-24(33-25)21-6-4-5-20-19(21)8-9-22(20)28-34(30,31)14-16(3)29;1-4-12-33(29,30)28-22-10-9-19-20(22)6-5-7-21(19)24-15-27-25(32-24)17-8-11-23(31-16(2)3)18(13-17)14-26/h6-9,12,15,17,19,25,32H,3-5,10-11,13-14,18H2,1-2H3;4-7,10-11,13,17-18,24,31H,8-9,14-16H2,1-3H3;5-8,11,14,16-17,24,30H,4,9-10,12-13H2,1-3H3;2*4-7,10,13,15-16,23,29H,8-9,11-12H2,1-3H3;2*4-7,10-11,13,15,22,28H,8-9,14H2,1-3H3;5-8,11,13,15-16,22,28H,4,9-10,12H2,1-3H3/t25-;2*24-;2*23-;3*22-/m11010101/s1
InChIKeyWCHJBWJQHMFCTM-CXAHNVGKSA-N
XLogP39.75
TPSA862.61 Ų
H-Bond Donors8
H-Bond Acceptors55
Rotatable Bonds68
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004131.32
LogP ≤ 539.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1055

Analyze N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide?
The IUPAC name of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide (CID 161464915) is N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide is CC(=O)CCS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CC(=O)N3CCCCC3)s2)cc1C#N.CC1CN(C(=O)CS(=O)(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.CCC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CCCS(=O)(=O)N[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.
What is the InChIKey of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide?
The InChIKey is WCHJBWJQHMFCTM-CXAHNVGKSA-N. The full InChI is InChI=1S/C29H32N4O4S2.C28H30N4O4S2.C27H29N3O4S2.2C26H27N3O4S2.2C25H25N3O4S2.C25H27N3O3S2/c1-19(2)37-26-12-9-20(15-21(26)16-30)29-31-17-27(38-29)24-8-6-7-23-22(24)10-11-25(23)32-39(35,36)18-28(34)33-13-4-3-5-14-33;1-17(2)36-25-10-7-19(11-20(25)12-29)28-30-13-26(37-28)23-6-4-5-22-21(23)8-9-24(22)31-38(34,35)16-27(33)32-14-18(3)15-32;1-4-20(31)12-13-36(32,33)30-24-10-9-21-22(24)6-5-7-23(21)26-16-29-27(35-26)18-8-11-25(34-17(2)3)19(14-18)15-28;2*1-16(2)33-24-10-7-18(13-19(24)14-27)26-28-15-25(34-26)22-6-4-5-21-20(22)8-9-23(21)29-35(31,32)12-11-17(3)30;2*1-15(2)32-23-10-7-17(11-18(23)12-26)25-27-13-24(33-25)21-6-4-5-20-19(21)8-9-22(20)28-34(30,31)14-16(3)29;1-4-12-33(29,30)28-22-10-9-19-20(22)6-5-7-21(19)24-15-27-25(32-24)17-8-11-23(31-16(2)3)18(13-17)14-26/h6-9,12,15,17,19,25,32H,3-5,10-11,13-14,18H2,1-2H3;4-7,10-11,13,17-18,24,31H,8-9,14-16H2,1-3H3;5-8,11,14,16-17,24,30H,4,9-10,12-13H2,1-3H3;2*4-7,10,13,15-16,23,29H,8-9,11-12H2,1-3H3;2*4-7,10-11,13,15,22,28H,8-9,14H2,1-3H3;5-8,11,13,15-16,22,28H,4,9-10,12H2,1-3H3/t25-;2*24-;2*23-;3*22-/m11010101/s1.
What are the key properties of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide?
N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide has a molecular weight of 4131.32 g/mol, XLogP of 39.75, 68 rotatable bonds, 8 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-methylazetidin-1-yl)-2-oxoethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxobutane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-oxopentane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxo-2-piperidin-1-ylethanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 161464915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).