5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide

C22H16N2O4S — CID 122195497

IUPAC5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1=Cc2cc(NC(=O)c3ccccc3)ccc2S1(=O)=O
InChIInChI=1S/C22H16N2O4S/c25-21(15-7-3-1-4-8-15)24-18-11-12-19-16(13-18)14-20(29(19,27)28)22(26)23-17-9-5-2-6-10-17/h1-14H,(H,23,26)(H,24,25)
InChIKeyZWXCCTAAHYPWTK-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.71
Rot. Bonds4

About 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide

5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 122195497) has the molecular formula C22H16N2O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID122195497
Molecular FormulaC22H16N2O4S
Molecular Weight404.45 g/mol
Exact Mass404.08
IUPAC Name5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1=Cc2cc(NC(=O)c3ccccc3)ccc2S1(=O)=O
InChIInChI=1S/C22H16N2O4S/c25-21(15-7-3-1-4-8-15)24-18-11-12-19-16(13-18)14-20(29(19,27)28)22(26)23-17-9-5-2-6-10-17/h1-14H,(H,23,26)(H,24,25)
InChIKeyZWXCCTAAHYPWTK-UHFFFAOYSA-N
XLogP3.71
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide (CID 122195497) is 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1)C1=Cc2cc(NC(=O)c3ccccc3)ccc2S1(=O)=O.
What is the InChIKey of 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is ZWXCCTAAHYPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4S/c25-21(15-7-3-1-4-8-15)24-18-11-12-19-16(13-18)14-20(29(19,27)28)22(26)23-17-9-5-2-6-10-17/h1-14H,(H,23,26)(H,24,25).
What are the key properties of 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122195497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).