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

C23H18N2O3S — CID 19318759

IUPACN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(SCN3C(=O)c4ccccc4C3=O)c2)c1
InChIInChI=1S/C23H18N2O3S/c1-15-6-4-7-16(12-15)21(26)24-17-8-5-9-18(13-17)29-14-25-22(27)19-10-2-3-11-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyLDUZBSJDUHHFED-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.59
Rot. Bonds5

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

N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide (PubChem CID 19318759) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
PubChem CID19318759
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(SCN3C(=O)c4ccccc4C3=O)c2)c1
InChIInChI=1S/C23H18N2O3S/c1-15-6-4-7-16(12-15)21(26)24-17-8-5-9-18(13-17)29-14-25-22(27)19-10-2-3-11-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)
InChIKeyLDUZBSJDUHHFED-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-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]-3-methylbenzamide
CID 22779288
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
CID 19318751
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
CID 19318801
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide
CID 19318756
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
CID 19318740
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
N-[3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906826
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3,4-dimethoxybenzamide
CID 22782209
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-nitrobenzamide
CID 22779833
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906832

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide (CID 19318759) is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(SCN3C(=O)c4ccccc4C3=O)c2)c1.
What is the InChIKey of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide?
The InChIKey is LDUZBSJDUHHFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-15-6-4-7-16(12-15)21(26)24-17-8-5-9-18(13-17)29-14-25-22(27)19-10-2-3-11-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide?
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-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-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 19318759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).