N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide

C22H18N4O5S — CID 6431672

IUPACN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
SMILESCC(=O)N(c1nc(C)cc(C)n1)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H18N4O5S/c1-13-12-14(2)24-22(23-13)26(15(3)27)32(30,31)17-10-8-16(9-11-17)25-20(28)18-6-4-5-7-19(18)21(25)29/h4-12H,1-3H3
InChIKeyHPKTVFANTNFJNB-UHFFFAOYSA-N
MW450.48 g/mol
LogP2.64
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide

N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide (PubChem CID 6431672) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
PubChem CID6431672
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
SMILESCC(=O)N(c1nc(C)cc(C)n1)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H18N4O5S/c1-13-12-14(2)24-22(23-13)26(15(3)27)32(30,31)17-10-8-16(9-11-17)25-20(28)18-6-4-5-7-19(18)21(25)29/h4-12H,1-3H3
InChIKeyHPKTVFANTNFJNB-UHFFFAOYSA-N
XLogP2.64
TPSA117.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide (CID 6431672) is N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide is CC(=O)N(c1nc(C)cc(C)n1)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
The InChIKey is HPKTVFANTNFJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c1-13-12-14(2)24-22(23-13)26(15(3)27)32(30,31)17-10-8-16(9-11-17)25-20(28)18-6-4-5-7-19(18)21(25)29/h4-12H,1-3H3.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide has a molecular weight of 450.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide is sourced from PubChem (CID 6431672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).