N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide

C98H122F2N16O12S2 — CID 158079418

IUPACN-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide
SMILESCC(=O)NC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.CC(=O)NC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.NS(=O)(=O)NCCC(=O)NC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.NS(=O)(=O)NCCC(=O)NC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2
InChIInChI=1S/C25H32FN5O4S.C25H33N5O4S.C24H28FN3O2.C24H29N3O2/c26-18-3-1-2-17-20-12-28-13-31(20)19(23(17)18)8-21(32)25-9-14-6-15(10-25)24(16(7-14)11-25)30-22(33)4-5-29-36(27,34)35;26-35(33,34)28-6-5-23(32)29-24-16-7-15-8-17(24)12-25(10-15,11-16)22(31)9-20-18-3-1-2-4-19(18)21-13-27-14-30(20)21;1-13(29)27-23-15-5-14-6-16(23)10-24(8-14,9-15)21(30)7-19-22-17(3-2-4-18(22)25)20-11-26-12-28(19)20;1-14(28)26-23-16-6-15-7-17(23)11-24(9-15,10-16)22(29)8-20-18-4-2-3-5-19(18)21-12-25-13-27(20)21/h1-3,12-16,19,21,24,29,32H,4-11H2,(H,30,33)(H2,27,34,35);1-4,13-17,20,22,24,28,31H,5-12H2,(H,29,32)(H2,26,33,34);2-4,11-12,14-16,19,21,23,30H,5-10H2,1H3,(H,27,29);2-5,12-13,15-17,20,22-23,29H,6-11H2,1H3,(H,26,28)
InChIKeyFMTQJSIBVGBGIF-UHFFFAOYSA-N
MW1818.28 g/mol
LogP10.74
Rot. Bonds24

About N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide

N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide (PubChem CID 158079418) has the molecular formula C98H122F2N16O12S2 and a molecular weight of 1818.28 g/mol. Its IUPAC name is N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide.

Molecular Properties

Compound NameN-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide
PubChem CID158079418
Molecular FormulaC98H122F2N16O12S2
Molecular Weight1818.28 g/mol
Exact Mass1816.88
IUPAC NameN-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide
SMILESCC(=O)NC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.CC(=O)NC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.NS(=O)(=O)NCCC(=O)NC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.NS(=O)(=O)NCCC(=O)NC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2
InChIInChI=1S/C25H32FN5O4S.C25H33N5O4S.C24H28FN3O2.C24H29N3O2/c26-18-3-1-2-17-20-12-28-13-31(20)19(23(17)18)8-21(32)25-9-14-6-15(10-25)24(16(7-14)11-25)30-22(33)4-5-29-36(27,34)35;26-35(33,34)28-6-5-23(32)29-24-16-7-15-8-17(24)12-25(10-15,11-16)22(31)9-20-18-3-1-2-4-19(18)21-13-27-14-30(20)21;1-13(29)27-23-15-5-14-6-16(23)10-24(8-14,9-15)21(30)7-19-22-17(3-2-4-18(22)25)20-11-26-12-28(19)20;1-14(28)26-23-16-6-15-7-17(23)11-24(9-15,10-16)22(29)8-20-18-4-2-3-5-19(18)21-12-25-13-27(20)21/h1-3,12-16,19,21,24,29,32H,4-11H2,(H,30,33)(H2,27,34,35);1-4,13-17,20,22,24,28,31H,5-12H2,(H,29,32)(H2,26,33,34);2-4,11-12,14-16,19,21,23,30H,5-10H2,1H3,(H,27,29);2-5,12-13,15-17,20,22-23,29H,6-11H2,1H3,(H,26,28)
InChIKeyFMTQJSIBVGBGIF-UHFFFAOYSA-N
XLogP10.74
TPSA412.98 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001818.28
LogP ≤ 510.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide with MolForge

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Related Compounds

2-cyclohexyl-N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide
CID 122499089
tert-butyl N-[[3-[[(2R)-7-ethyl-7-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-bicyclo[3.3.1]nonanyl]amino]-3-oxopropyl]sulfamoyl]carbamate
CID 122499015
1-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-methylurea
CID 122499020
3-amino-N-[(1R)-5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propanamide
CID 122499123
N-[(1R)-5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide
CID 122499137
3-amino-N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]propanamide
CID 122499197
2-cyclohexyl-N-[(1R)-5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide
CID 122499204
1-(3,4-difluorophenyl)-3-[(1R)-7-ethyl-7-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-bicyclo[3.3.1]nonanyl]urea
CID 122499217
1-(cyclopentylmethyl)-3-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]urea
CID 122499230
1-(2,4-difluorophenyl)-3-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]urea
CID 122499234
1-[(2R)-7-ethyl-7-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-bicyclo[3.3.1]nonanyl]-3-(4-fluorophenyl)urea
CID 122499324
1-(3,4-difluorophenyl)-3-[7-ethyl-7-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-bicyclo[3.3.1]nonanyl]urea
CID 122499339

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide?
The IUPAC name of N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide (CID 158079418) is N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide.
What is the SMILES notation for N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide?
The canonical SMILES for N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide is CC(=O)NC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.CC(=O)NC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.NS(=O)(=O)NCCC(=O)NC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.NS(=O)(=O)NCCC(=O)NC1C2CC3CC1CC(C(O)CC1c4ccccc4-c4cncn41)(C3)C2.
What is the InChIKey of N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide?
The InChIKey is FMTQJSIBVGBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O4S.C25H33N5O4S.C24H28FN3O2.C24H29N3O2/c26-18-3-1-2-17-20-12-28-13-31(20)19(23(17)18)8-21(32)25-9-14-6-15(10-25)24(16(7-14)11-25)30-22(33)4-5-29-36(27,34)35;26-35(33,34)28-6-5-23(32)29-24-16-7-15-8-17(24)12-25(10-15,11-16)22(31)9-20-18-3-1-2-4-19(18)21-13-27-14-30(20)21;1-13(29)27-23-15-5-14-6-16(23)10-24(8-14,9-15)21(30)7-19-22-17(3-2-4-18(22)25)20-11-26-12-28(19)20;1-14(28)26-23-16-6-15-7-17(23)11-24(9-15,10-16)22(29)8-20-18-4-2-3-5-19(18)21-12-25-13-27(20)21/h1-3,12-16,19,21,24,29,32H,4-11H2,(H,30,33)(H2,27,34,35);1-4,13-17,20,22,24,28,31H,5-12H2,(H,29,32)(H2,26,33,34);2-4,11-12,14-16,19,21,23,30H,5-10H2,1H3,(H,27,29);2-5,12-13,15-17,20,22-23,29H,6-11H2,1H3,(H,26,28).
What are the key properties of N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide?
N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide has a molecular weight of 1818.28 g/mol, XLogP of 10.74, 24 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]acetamide;N-[5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]acetamide;N-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-adamantyl]-3-(sulfamoylamino)propanamide is sourced from PubChem (CID 158079418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).