N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide

C19H18N2O5S — CID 55758157

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5S/c1-13-6-2-3-7-14(13)12-17(22)20-27(25,26)11-10-21-18(23)15-8-4-5-9-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyUTPYAPPCWADEPC-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide

N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide (PubChem CID 55758157) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide
PubChem CID55758157
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O5S/c1-13-6-2-3-7-14(13)12-17(22)20-27(25,26)11-10-21-18(23)15-8-4-5-9-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyUTPYAPPCWADEPC-UHFFFAOYSA-N
XLogP1.28
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.28
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

(2S)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-methylbutanamide
CID 94189662
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide
CID 56583547
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
3-(1,3-dioxoisoindol-2-yl)-N-[2-(ethylsulfonylamino)ethyl]propanamide
CID 108572140
N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730354
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110312688

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide (CID 55758157) is N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide?
The InChIKey is UTPYAPPCWADEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-13-6-2-3-7-14(13)12-17(22)20-27(25,26)11-10-21-18(23)15-8-4-5-9-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide has a molecular weight of 386.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 55758157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).