[2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate

C22H19NO3S — CID 2801933

IUPAC[2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H19NO3S/c1-16(24)26-15-17-9-5-7-13-20(17)27-21-14-8-6-12-19(21)22(25)23-18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyCYPRSKDPDAOCFF-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.15
Rot. Bonds6

About [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate

[2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate (PubChem CID 2801933) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate.

Molecular Properties

Compound Name[2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
PubChem CID2801933
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name[2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H19NO3S/c1-16(24)26-15-17-9-5-7-13-20(17)27-21-14-8-6-12-19(21)22(25)23-18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyCYPRSKDPDAOCFF-UHFFFAOYSA-N
XLogP5.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
The IUPAC name of [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate (CID 2801933) is [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate.
What is the SMILES notation for [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
The canonical SMILES for [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate is CC(=O)OCc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
The InChIKey is CYPRSKDPDAOCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-16(24)26-15-17-9-5-7-13-20(17)27-21-14-8-6-12-19(21)22(25)23-18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
[2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate has a molecular weight of 377.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(phenylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate is sourced from PubChem (CID 2801933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).