N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C19H19N3O4S — CID 55960851

IUPACN-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-27(25,26)21-15-10-8-14(9-11-15)20-18(23)12-22-13(2)16-6-4-5-7-17(16)19(22)24/h4-11,21H,2-3,12H2,1H3,(H,20,23)
InChIKeyCNGPRKRDBMJXCF-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.51
Rot. Bonds6

About N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 55960851) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID55960851
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-27(25,26)21-15-10-8-14(9-11-15)20-18(23)12-22-13(2)16-6-4-5-7-17(16)19(22)24/h4-11,21H,2-3,12H2,1H3,(H,20,23)
InChIKeyCNGPRKRDBMJXCF-UHFFFAOYSA-N
XLogP2.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 55960851) is N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is CNGPRKRDBMJXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-27(25,26)21-15-10-8-14(9-11-15)20-18(23)12-22-13(2)16-6-4-5-7-17(16)19(22)24/h4-11,21H,2-3,12H2,1H3,(H,20,23).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55960851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).