N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide

C23H23N3O3S — CID 16559919

IUPACN-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide
SMILESCCN(C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O)c1nc2ccccc2s1
InChIInChI=1S/C23H23N3O3S/c1-4-25(23-24-17-11-7-8-12-19(17)30-23)22(29)18(13-14(2)3)26-20(27)15-9-5-6-10-16(15)21(26)28/h5-12,14,18H,4,13H2,1-3H3
InChIKeyPMSMUTTWUFSDMI-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.36
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide

N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide (PubChem CID 16559919) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide
PubChem CID16559919
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide
SMILESCCN(C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O)c1nc2ccccc2s1
InChIInChI=1S/C23H23N3O3S/c1-4-25(23-24-17-11-7-8-12-19(17)30-23)22(29)18(13-14(2)3)26-20(27)15-9-5-6-10-16(15)21(26)28/h5-12,14,18H,4,13H2,1-3H3
InChIKeyPMSMUTTWUFSDMI-UHFFFAOYSA-N
XLogP4.36
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-benzothiazol-2-ylmethyl (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408417
2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide
CID 112762971
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 34191636
N-(1,3-benzothiazol-2-yl)-N-ethyl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 16559981
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 34190790
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 51207918
[(3S)-3-(1,3-dioxoisoindol-2-yl)-5-methyl-2-oxohexyl] acetate
CID 12031655
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
CID 7294703
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16563517

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide (CID 16559919) is N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide is CCN(C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide?
The InChIKey is PMSMUTTWUFSDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-4-25(23-24-17-11-7-8-12-19(17)30-23)22(29)18(13-14(2)3)26-20(27)15-9-5-6-10-16(15)21(26)28/h5-12,14,18H,4,13H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide?
N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide has a molecular weight of 421.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 16559919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).