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

C24H20N2O4S — CID 19318801

IUPACN-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SCCN3C(=O)c4ccccc4C3=O)c2)c1
InChIInChI=1S/C24H20N2O4S/c1-30-18-8-4-6-16(14-18)22(27)25-17-7-5-9-19(15-17)31-13-12-26-23(28)20-10-2-3-11-21(20)24(26)29/h2-11,14-15H,12-13H2,1H3,(H,25,27)
InChIKeyLNOJVMAOFPVXEC-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.34
Rot. Bonds7

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

N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide (PubChem CID 19318801) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
PubChem CID19318801
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SCCN3C(=O)c4ccccc4C3=O)c2)c1
InChIInChI=1S/C24H20N2O4S/c1-30-18-8-4-6-16(14-18)22(27)25-17-7-5-9-19(15-17)31-13-12-26-23(28)20-10-2-3-11-21(20)24(26)29/h2-11,14-15H,12-13H2,1H3,(H,25,27)
InChIKeyLNOJVMAOFPVXEC-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-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
CID 22779665
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
CID 19318759
N-[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]-3-nitrobenzamide
CID 19318834
N-[(E)-1-(2,4-dimethoxyphenyl)-3-[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19300420
N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide
CID 19318774
ethyl 4-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-3-oxobutanoate
CID 19318477
N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 19299539
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
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
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]-3-methylbenzamide
CID 22779288
N-[(E)-1-(3,4-dimethoxyphenyl)-3-[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19300466

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide (CID 19318801) is N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(SCCN3C(=O)c4ccccc4C3=O)c2)c1.
What is the InChIKey of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
The InChIKey is LNOJVMAOFPVXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-30-18-8-4-6-16(14-18)22(27)25-17-7-5-9-19(15-17)31-13-12-26-23(28)20-10-2-3-11-21(20)24(26)29/h2-11,14-15H,12-13H2,1H3,(H,25,27).
What are the key properties of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide?
N-[3-[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-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 19318801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).