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

C17H17NO3S — CID 2824964

IUPAC[2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
SMILESCNC(=O)c1ccccc1Sc1ccccc1COC(C)=O
InChIInChI=1S/C17H17NO3S/c1-12(19)21-11-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17(20)18-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyGKSLOIVNZICJRP-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.26
Rot. Bonds5

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

[2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate (PubChem CID 2824964) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate.

Molecular Properties

Compound Name[2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
PubChem CID2824964
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name[2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
SMILESCNC(=O)c1ccccc1Sc1ccccc1COC(C)=O
InChIInChI=1S/C17H17NO3S/c1-12(19)21-11-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17(20)18-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyGKSLOIVNZICJRP-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
The IUPAC name of [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate (CID 2824964) is [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate.
What is the SMILES notation for [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
The canonical SMILES for [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate is CNC(=O)c1ccccc1Sc1ccccc1COC(C)=O.
What is the InChIKey of [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
The InChIKey is GKSLOIVNZICJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12(19)21-11-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17(20)18-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate?
[2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate has a molecular weight of 315.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate is sourced from PubChem (CID 2824964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).