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

C24H20N2O4S — CID 22779665

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SCCN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C24H20N2O4S/c1-30-18-6-4-5-16(15-18)22(27)25-17-9-11-19(12-10-17)31-14-13-26-23(28)20-7-2-3-8-21(20)24(26)29/h2-12,15H,13-14H2,1H3,(H,25,27)
InChIKeyXQRHDIOVEAZIQA-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.34
Rot. Bonds7

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

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide (PubChem CID 22779665) 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]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
PubChem CID22779665
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SCCN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C24H20N2O4S/c1-30-18-6-4-5-16(15-18)22(27)25-17-9-11-19(12-10-17)31-14-13-26-23(28)20-7-2-3-8-21(20)24(26)29/h2-12,15H,13-14H2,1H3,(H,25,27)
InChIKeyXQRHDIOVEAZIQA-UHFFFAOYSA-N
XLogP4.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.34
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-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
CID 19318801
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]-3-methylbenzamide
CID 22779288
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide
CID 22777349
N-[(Z)-1-(2,5-dimethoxyphenyl)-3-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783975
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3,4-dimethoxybenzamide
CID 22782209
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22782821
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide
CID 22779662
3-methoxy-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19631535
3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19630369
N-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23099491
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide (CID 22779665) is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(SCCN3C(=O)c4ccccc4C3=O)cc2)c1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
The InChIKey is XQRHDIOVEAZIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-30-18-6-4-5-16(15-18)22(27)25-17-9-11-19(12-10-17)31-14-13-26-23(28)20-7-2-3-8-21(20)24(26)29/h2-12,15H,13-14H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide has a molecular weight of 432.50 g/mol, XLogP of 4.34, 7 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]-3-methoxybenzamide is sourced from PubChem (CID 22779665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).