3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid

C25H28N2O4S — CID 10026886

IUPAC3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccsc3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C25H28N2O4S/c28-22(26-9-11-31-12-10-26)15-27-21-14-18(25(29)30)6-7-20(21)23(17-4-2-1-3-5-17)24(27)19-8-13-32-16-19/h6-8,13-14,16-17H,1-5,9-12,15H2,(H,29,30)
InChIKeyQYTLFUPVASIOAZ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.97
Rot. Bonds5

About 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid (PubChem CID 10026886) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
PubChem CID10026886
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccsc3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C25H28N2O4S/c28-22(26-9-11-31-12-10-26)15-27-21-14-18(25(29)30)6-7-20(21)23(17-4-2-1-3-5-17)24(27)19-8-13-32-16-19/h6-8,13-14,16-17H,1-5,9-12,15H2,(H,29,30)
InChIKeyQYTLFUPVASIOAZ-UHFFFAOYSA-N
XLogP4.97
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-thiophen-2-ylquinolin-6-yl)indole-6-carboxylic acid
CID 11556067
N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 58923431
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carbonyl chloride;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 158147564
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 10075164
3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-1-ium-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 143261915
2-[2-(3-aminophenyl)quinolin-6-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 58710351
3-cyclohexyl-2-(furan-3-yl)-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]indole-6-carboxylic acid
CID 46232504
3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid
CID 11156284
N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 71816842
3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 11455732
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
CID 158184456
3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 160536635

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid (CID 10026886) is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccsc3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid?
The InChIKey is QYTLFUPVASIOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-22(26-9-11-31-12-10-26)15-27-21-14-18(25(29)30)6-7-20(21)23(17-4-2-1-3-5-17)24(27)19-8-13-32-16-19/h6-8,13-14,16-17H,1-5,9-12,15H2,(H,29,30).
What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid?
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid has a molecular weight of 452.58 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid is sourced from PubChem (CID 10026886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).