N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide

C22H18N2O4S — CID 140749354

IUPACN-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
SMILESCS(=O)(=O)N1Cc2c(-c3ccccc3)ccc(NC(=O)c3ccccc3)c2C1=O
InChIInChI=1S/C22H18N2O4S/c1-29(27,28)24-14-18-17(15-8-4-2-5-9-15)12-13-19(20(18)22(24)26)23-21(25)16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyILUMKWLGSUDESV-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.52
Rot. Bonds4

About N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide

N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide (PubChem CID 140749354) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
PubChem CID140749354
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
SMILESCS(=O)(=O)N1Cc2c(-c3ccccc3)ccc(NC(=O)c3ccccc3)c2C1=O
InChIInChI=1S/C22H18N2O4S/c1-29(27,28)24-14-18-17(15-8-4-2-5-9-15)12-13-19(20(18)22(24)26)23-21(25)16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyILUMKWLGSUDESV-UHFFFAOYSA-N
XLogP3.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749364
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide
CID 161402375
N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749342
3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 162075474
N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
CID 10962330
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 149052583

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
The IUPAC name of N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide (CID 140749354) is N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide.
What is the SMILES notation for N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
The canonical SMILES for N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide is CS(=O)(=O)N1Cc2c(-c3ccccc3)ccc(NC(=O)c3ccccc3)c2C1=O.
What is the InChIKey of N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
The InChIKey is ILUMKWLGSUDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-29(27,28)24-14-18-17(15-8-4-2-5-9-15)12-13-19(20(18)22(24)26)23-21(25)16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide has a molecular weight of 406.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide is sourced from PubChem (CID 140749354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).