N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide

C24H20N2O4S — CID 22779662

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O4S/c27-22(16-30-18-6-2-1-3-7-18)25-17-10-12-19(13-11-17)31-15-14-26-23(28)20-8-4-5-9-21(20)24(26)29/h1-13H,14-16H2,(H,25,27)
InChIKeyMWGJYNNNFACONZ-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.09
Rot. Bonds8

About N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide (PubChem CID 22779662) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide
PubChem CID22779662
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O4S/c27-22(16-30-18-6-2-1-3-7-18)25-17-10-12-19(13-11-17)31-15-14-26-23(28)20-8-4-5-9-21(20)24(26)29/h1-13H,14-16H2,(H,25,27)
InChIKeyMWGJYNNNFACONZ-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.09
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

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
CID 22779665
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide
CID 22777349
N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 23096407
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-hydroxy-5-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 22782785
N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19631701
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19630696
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22781306
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
N-[(Z)-1-(2-chlorophenyl)-3-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783795
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide (CID 22779662) is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide?
The InChIKey is MWGJYNNNFACONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c27-22(16-30-18-6-2-1-3-7-18)25-17-10-12-19(13-11-17)31-15-14-26-23(28)20-8-4-5-9-21(20)24(26)29/h1-13H,14-16H2,(H,25,27).
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide has a molecular weight of 432.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 22779662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).