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

C27H21N3O4S — CID 19177049

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C27H21N3O4S/c1-34-19-13-11-18(12-14-19)22-16-35-27(28-22)29-24(31)23(15-17-7-3-2-4-8-17)30-25(32)20-9-5-6-10-21(20)26(30)33/h2-14,16,23H,15H2,1H3,(H,28,29,31)
InChIKeyKRFOVERQNDVVDP-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.66
Rot. Bonds7

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

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 19177049) has the molecular formula C27H21N3O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID19177049
Molecular FormulaC27H21N3O4S
Molecular Weight483.55 g/mol
Exact Mass483.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C27H21N3O4S/c1-34-19-13-11-18(12-14-19)22-16-35-27(28-22)29-24(31)23(15-17-7-3-2-4-8-17)30-25(32)20-9-5-6-10-21(20)26(30)33/h2-14,16,23H,15H2,1H3,(H,28,29,31)
InChIKeyKRFOVERQNDVVDP-UHFFFAOYSA-N
XLogP4.66
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.66
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-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19177050
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 4005296
(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
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-[[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-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
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 19197309
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 2787785
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenylacetamide
CID 3502964

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 19177049) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is COc1ccc(-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-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is KRFOVERQNDVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4S/c1-34-19-13-11-18(12-14-19)22-16-35-27(28-22)29-24(31)23(15-17-7-3-2-4-8-17)30-25(32)20-9-5-6-10-21(20)26(30)33/h2-14,16,23H,15H2,1H3,(H,28,29,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 483.55 g/mol, XLogP of 4.66, 7 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-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 19177049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).