2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide

C20H19N3O5S — CID 7584600

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H19N3O5S/c24-18(13-22-19(25)16-5-1-2-6-17(16)20(22)26)21-14-7-9-15(10-8-14)23-11-3-4-12-29(23,27)28/h1-2,5-10H,3-4,11-13H2,(H,21,24)
InChIKeyQDVMHUJWRGPMLH-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.85
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide (PubChem CID 7584600) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
PubChem CID7584600
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H19N3O5S/c24-18(13-22-19(25)16-5-1-2-6-17(16)20(22)26)21-14-7-9-15(10-8-14)23-11-3-4-12-29(23,27)28/h1-2,5-10H,3-4,11-13H2,(H,21,24)
InChIKeyQDVMHUJWRGPMLH-UHFFFAOYSA-N
XLogP1.85
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.85
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

2-(1,3-dioxoisoindol-2-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483167
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
CID 53367825
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55934242
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]propanamide
CID 125433013
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53368461

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide (CID 7584600) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide?
The InChIKey is QDVMHUJWRGPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c24-18(13-22-19(25)16-5-1-2-6-17(16)20(22)26)21-14-7-9-15(10-8-14)23-11-3-4-12-29(23,27)28/h1-2,5-10H,3-4,11-13H2,(H,21,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide has a molecular weight of 413.46 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide is sourced from PubChem (CID 7584600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).