N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide

C24H20N2O3S — CID 56507674

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H20N2O3S/c1-2-30-15-16-10-12-17(13-11-16)22(27)25-18-6-5-7-19(14-18)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeySNDJLPPJEWRYIG-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.99
Rot. Bonds6

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide (PubChem CID 56507674) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
PubChem CID56507674
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H20N2O3S/c1-2-30-15-16-10-12-17(13-11-16)22(27)25-18-6-5-7-19(14-18)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeySNDJLPPJEWRYIG-UHFFFAOYSA-N
XLogP4.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56507697
4-cyclopentyloxy-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 56508453
propyl 3-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate
CID 19177391
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 56509582
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
CID 56509709
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 56508343

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide (CID 56507674) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide is CCSCc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
The InChIKey is SNDJLPPJEWRYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-2-30-15-16-10-12-17(13-11-16)22(27)25-18-6-5-7-19(14-18)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide has a molecular weight of 416.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide is sourced from PubChem (CID 56507674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).