N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

C24H28N4O6S2 — CID 44516879

IUPACN-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CC(=O)NCC(C)(C)O)S3)[nH]c12
InChIInChI=1S/C24H28N4O6S2/c1-24(2,30)13-27-20(29)10-17-12-26-23(35-17)18-8-14-7-16(9-19(33-3)22(14)28-18)34-15-5-6-21(25-11-15)36(4,31)32/h5-9,11,17,28,30H,10,12-13H2,1-4H3,(H,27,29)
InChIKeyUFEHBOZFLDKNJL-UHFFFAOYSA-N
MW532.64 g/mol
LogP2.91
Rot. Bonds9

About N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (PubChem CID 44516879) has the molecular formula C24H28N4O6S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
PubChem CID44516879
Molecular FormulaC24H28N4O6S2
Molecular Weight532.64 g/mol
Exact Mass532.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CC(=O)NCC(C)(C)O)S3)[nH]c12
InChIInChI=1S/C24H28N4O6S2/c1-24(2,30)13-27-20(29)10-17-12-26-23(35-17)18-8-14-7-16(9-19(33-3)22(14)28-18)34-15-5-6-21(25-11-15)36(4,31)32/h5-9,11,17,28,30H,10,12-13H2,1-4H3,(H,27,29)
InChIKeyUFEHBOZFLDKNJL-UHFFFAOYSA-N
XLogP2.91
TPSA142.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-6-yl]-1-methylpyrrolidin-2-one
CID 137632890
7-(2-fluorophenoxy)-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole
CID 16123470
7-(2,6-difluorophenoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indole
CID 16123583
7-(2,6-difluorophenoxy)-5-(4-ethylsulfonylphenoxy)-2-pyrazin-2-yl-1H-indole
CID 16123584
7-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indole
CID 16123585
5,5,5-trifluoro-1-[2-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]pentan-2-one
CID 58081021
5,5,5-trifluoro-1-[2-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]pentan-2-one
CID 58081039
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 58236930
6-Fluoro-7-hydroxy-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indole-2-carboxamide
CID 58236955
6-Fluoro-7-hydroxy-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indole-2-carboxylic acid
CID 58236987
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
CID 58237021
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
CID 58237030

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (CID 44516879) is N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is COc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CC(=O)NCC(C)(C)O)S3)[nH]c12.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The InChIKey is UFEHBOZFLDKNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S2/c1-24(2,30)13-27-20(29)10-17-12-26-23(35-17)18-8-14-7-16(9-19(33-3)22(14)28-18)34-15-5-6-21(25-11-15)36(4,31)32/h5-9,11,17,28,30H,10,12-13H2,1-4H3,(H,27,29).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide has a molecular weight of 532.64 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-[2-[7-methoxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 44516879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).