N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide

C18H16N2O6S — CID 90143381

IUPACN-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide
SMILESCC(=O)NC(=O)c1ccc(S(=O)(=O)c2cccc(C(=O)NC(C)=O)c2)cc1
InChIInChI=1S/C18H16N2O6S/c1-11(21)19-17(23)13-6-8-15(9-7-13)27(25,26)16-5-3-4-14(10-16)18(24)20-12(2)22/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyRGKSXWIRIZCEPY-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.07
Rot. Bonds4

About N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide

N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide (PubChem CID 90143381) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide
PubChem CID90143381
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC NameN-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide
SMILESCC(=O)NC(=O)c1ccc(S(=O)(=O)c2cccc(C(=O)NC(C)=O)c2)cc1
InChIInChI=1S/C18H16N2O6S/c1-11(21)19-17(23)13-6-8-15(9-7-13)27(25,26)16-5-3-4-14(10-16)18(24)20-12(2)22/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyRGKSXWIRIZCEPY-UHFFFAOYSA-N
XLogP1.07
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide?
The IUPAC name of N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide (CID 90143381) is N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide.
What is the SMILES notation for N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide?
The canonical SMILES for N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide is CC(=O)NC(=O)c1ccc(S(=O)(=O)c2cccc(C(=O)NC(C)=O)c2)cc1.
What is the InChIKey of N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide?
The InChIKey is RGKSXWIRIZCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S/c1-11(21)19-17(23)13-6-8-15(9-7-13)27(25,26)16-5-3-4-14(10-16)18(24)20-12(2)22/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide?
N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide has a molecular weight of 388.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-[4-(acetylcarbamoyl)phenyl]sulfonylbenzamide is sourced from PubChem (CID 90143381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).