2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide

C28H23N3O4S — CID 19177050

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCCOc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C28H23N3O4S/c1-2-35-20-14-12-19(13-15-20)23-17-36-28(29-23)30-25(32)24(16-18-8-4-3-5-9-18)31-26(33)21-10-6-7-11-22(21)27(31)34/h3-15,17,24H,2,16H2,1H3,(H,29,30,32)
InChIKeyDPMNTEJJCVVYFW-UHFFFAOYSA-N
MW497.58 g/mol
LogP5.05
Rot. Bonds8

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 19177050) has the molecular formula C28H23N3O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID19177050
Molecular FormulaC28H23N3O4S
Molecular Weight497.58 g/mol
Exact Mass497.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCCOc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C28H23N3O4S/c1-2-35-20-14-12-19(13-15-20)23-17-36-28(29-23)30-25(32)24(16-18-8-4-3-5-9-18)31-26(33)21-10-6-7-11-22(21)27(31)34/h3-15,17,24H,2,16H2,1H3,(H,29,30,32)
InChIKeyDPMNTEJJCVVYFW-UHFFFAOYSA-N
XLogP5.05
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19177049
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 4005296
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19241589
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2487274
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19197245
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 55943248
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 4576679
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide
CID 24509005
(2S)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 124526457
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19241646
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 2591223
methyl 2-[[2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839223

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 19177050) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is CCOc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is DPMNTEJJCVVYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4S/c1-2-35-20-14-12-19(13-15-20)23-17-36-28(29-23)30-25(32)24(16-18-8-4-3-5-9-18)31-26(33)21-10-6-7-11-22(21)27(31)34/h3-15,17,24H,2,16H2,1H3,(H,29,30,32).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 497.58 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 19177050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).