N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide

C24H23N3O4S — CID 137076681

IUPACN-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(O)c(C=C3C=Nc4c(CC)cccc43)sc2=O)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-15-6-5-7-19-16(13-25-22(15)19)12-20-23(29)27(24(30)32-20)14-21(28)26-17-8-10-18(11-9-17)31-4-2/h5-13,29H,3-4,14H2,1-2H3,(H,26,28)
InChIKeySCINABZBRXBYQT-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.47
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide

N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 137076681) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
PubChem CID137076681
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(O)c(C=C3C=Nc4c(CC)cccc43)sc2=O)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-15-6-5-7-19-16(13-25-22(15)19)12-20-23(29)27(24(30)32-20)14-21(28)26-17-8-10-18(11-9-17)31-4-2/h5-13,29H,3-4,14H2,1-2H3,(H,26,28)
InChIKeySCINABZBRXBYQT-UHFFFAOYSA-N
XLogP4.47
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-butan-2-yl] 2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetate
CID 137021971
3-[(2,4-dichlorophenyl)methyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 137083608
3-(4-ethoxyanilino)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137262240
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
2-[5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]-N-(2-methylphenyl)acetamide
CID 137076775
N-[5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]adamantane-1-carboxamide
CID 137262737
5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione
CID 135991435
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
ethyl 4-[4-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoylamino]benzoate
CID 135718221
6-[[2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]amino]hexanoic acid
CID 137262310
N-(4-ethoxyphenyl)-2-[(5E)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126160372
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide (CID 137076681) is N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide is CCOc1ccc(NC(=O)Cn2c(O)c(C=C3C=Nc4c(CC)cccc43)sc2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?
The InChIKey is SCINABZBRXBYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-15-6-5-7-19-16(13-25-22(15)19)12-20-23(29)27(24(30)32-20)14-21(28)26-17-8-10-18(11-9-17)31-4-2/h5-13,29H,3-4,14H2,1-2H3,(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?
N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 449.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 137076681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).