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

C23H19N3O5S — CID 56509582

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H19N3O5S/c1-14-10-11-15(12-20(14)25-32(2,30)31)21(27)24-16-6-5-7-17(13-16)26-22(28)18-8-3-4-9-19(18)23(26)29/h3-13,25H,1-2H3,(H,24,27)
InChIKeyYWACRODTYOGJSE-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.42
Rot. Bonds5

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

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 56509582) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID56509582
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H19N3O5S/c1-14-10-11-15(12-20(14)25-32(2,30)31)21(27)24-16-6-5-7-17(13-16)26-22(28)18-8-3-4-9-19(18)23(26)29/h3-13,25H,1-2H3,(H,24,27)
InChIKeyYWACRODTYOGJSE-UHFFFAOYSA-N
XLogP3.42
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
CID 110352312
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
CID 56509709
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56507697
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 56507674
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 56508343
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 56509582) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is YWACRODTYOGJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-14-10-11-15(12-20(14)25-32(2,30)31)21(27)24-16-6-5-7-17(13-16)26-22(28)18-8-3-4-9-19(18)23(26)29/h3-13,25H,1-2H3,(H,24,27).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 449.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 56509582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).