4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide

C27H21N3O3S — CID 108751433

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H21N3O3S/c31-24(11-6-16-30-26(32)21-9-4-5-10-22(21)27(30)33)28-20-14-12-18(13-15-20)23-17-34-25(29-23)19-7-2-1-3-8-19/h1-5,7-10,12-15,17H,6,11,16H2,(H,28,31)
InChIKeyZOYGONZCEPKNNE-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.49
Rot. Bonds7

About 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 108751433) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID108751433
Molecular FormulaC27H21N3O3S
Molecular Weight467.55 g/mol
Exact Mass467.13
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H21N3O3S/c31-24(11-6-16-30-26(32)21-9-4-5-10-22(21)27(30)33)28-20-14-12-18(13-15-20)23-17-34-25(29-23)19-7-2-1-3-8-19/h1-5,7-10,12-15,17H,6,11,16H2,(H,28,31)
InChIKeyZOYGONZCEPKNNE-UHFFFAOYSA-N
XLogP5.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751489
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 108751433) is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is ZOYGONZCEPKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c31-24(11-6-16-30-26(32)21-9-4-5-10-22(21)27(30)33)28-20-14-12-18(13-15-20)23-17-34-25(29-23)19-7-2-1-3-8-19/h1-5,7-10,12-15,17H,6,11,16H2,(H,28,31).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 467.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 108751433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).