N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide

C23H18N2O3S — CID 19631146

IUPACN-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(SCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18N2O3S/c1-15-6-2-3-7-18(15)21(26)24-16-10-12-17(13-11-16)29-14-25-22(27)19-8-4-5-9-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyFGHBXYRXLVGTNM-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.59
Rot. Bonds5

About N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide

N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide (PubChem CID 19631146) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide
PubChem CID19631146
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(SCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18N2O3S/c1-15-6-2-3-7-18(15)21(26)24-16-10-12-17(13-11-16)29-14-25-22(27)19-8-4-5-9-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyFGHBXYRXLVGTNM-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.59
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-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide
CID 1318497
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3,4-dimethoxybenzamide
CID 22782209
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22777041
N-[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22781193
N-[4-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775724
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-nitrobenzamide
CID 22779833
ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782234
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22780504
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775889
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
CID 19318759
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide (CID 19631146) is N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(SCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide?
The InChIKey is FGHBXYRXLVGTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-15-6-2-3-7-18(15)21(26)24-16-10-12-17(13-11-16)29-14-25-22(27)19-8-4-5-9-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide?
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide has a molecular weight of 402.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 19631146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).