N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide

C21H18N2O4S — CID 4227718

IUPACN-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24)
InChIKeyUNLFTWXGUFGGQA-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.68
Rot. Bonds6

About N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4227718) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID4227718
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24)
InChIKeyUNLFTWXGUFGGQA-UHFFFAOYSA-N
XLogP3.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide (CID 4227718) is N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is UNLFTWXGUFGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24).
What are the key properties of N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4227718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).