N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C21H17N3O4S — CID 56508331

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H17N3O4S/c1-13-12-29-21(28)23(13)10-9-18(25)22-14-5-4-6-15(11-14)24-19(26)16-7-2-3-8-17(16)20(24)27/h2-8,11-12H,9-10H2,1H3,(H,22,25)
InChIKeyNZQSEHIWRPWHFY-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.05
Rot. Bonds5

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

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 56508331) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID56508331
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H17N3O4S/c1-13-12-29-21(28)23(13)10-9-18(25)22-14-5-4-6-15(11-14)24-19(26)16-7-2-3-8-17(16)20(24)27/h2-8,11-12H,9-10H2,1H3,(H,22,25)
InChIKeyNZQSEHIWRPWHFY-UHFFFAOYSA-N
XLogP3.05
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.05
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

N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56508213
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
CID 17474007
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56506796
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507566
3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507680
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 56507438
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56508672

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 56508331) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is NZQSEHIWRPWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-13-12-29-21(28)23(13)10-9-18(25)22-14-5-4-6-15(11-14)24-19(26)16-7-2-3-8-17(16)20(24)27/h2-8,11-12H,9-10H2,1H3,(H,22,25).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 407.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 56508331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).