N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide

C20H20N2O6S — CID 5008521

IUPACN-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(S(=O)(=O)c2ccc(N(C(C)=O)C(C)=O)cc2)cc1
InChIInChI=1S/C20H20N2O6S/c1-13(23)21(14(2)24)17-5-9-19(10-6-17)29(27,28)20-11-7-18(8-12-20)22(15(3)25)16(4)26/h5-12H,1-4H3
InChIKeyYCMZCIJQRPIBHG-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.32
Rot. Bonds4

About N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide

N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide (PubChem CID 5008521) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide
PubChem CID5008521
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC NameN-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(S(=O)(=O)c2ccc(N(C(C)=O)C(C)=O)cc2)cc1
InChIInChI=1S/C20H20N2O6S/c1-13(23)21(14(2)24)17-5-9-19(10-6-17)29(27,28)20-11-7-18(8-12-20)22(15(3)25)16(4)26/h5-12H,1-4H3
InChIKeyYCMZCIJQRPIBHG-UHFFFAOYSA-N
XLogP2.32
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide?
The IUPAC name of N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide (CID 5008521) is N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide is CC(=O)N(C(C)=O)c1ccc(S(=O)(=O)c2ccc(N(C(C)=O)C(C)=O)cc2)cc1.
What is the InChIKey of N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide?
The InChIKey is YCMZCIJQRPIBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-13(23)21(14(2)24)17-5-9-19(10-6-17)29(27,28)20-11-7-18(8-12-20)22(15(3)25)16(4)26/h5-12H,1-4H3.
What are the key properties of N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide?
N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 5008521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).