phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone

C22H16O2S — CID 1476424

IUPACphenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone
SMILESO=C(c1ccccc1)c1oc2ccccc2c1CSc1ccccc1
InChIInChI=1S/C22H16O2S/c23-21(16-9-3-1-4-10-16)22-19(15-25-17-11-5-2-6-12-17)18-13-7-8-14-20(18)24-22/h1-14H,15H2
InChIKeyUDUGLFWRHVENHZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.96
Rot. Bonds5

About phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone

phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone (PubChem CID 1476424) has the molecular formula C22H16O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone
PubChem CID1476424
Molecular FormulaC22H16O2S
Molecular Weight344.44 g/mol
Exact Mass344.09
IUPAC Namephenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone
SMILESO=C(c1ccccc1)c1oc2ccccc2c1CSc1ccccc1
InChIInChI=1S/C22H16O2S/c23-21(16-9-3-1-4-10-16)22-19(15-25-17-11-5-2-6-12-17)18-13-7-8-14-20(18)24-22/h1-14H,15H2
InChIKeyUDUGLFWRHVENHZ-UHFFFAOYSA-N
XLogP5.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-aminophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
CID 79124480
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
CID 61384802
(E)-but-2-enedioic acid;[3-[(1-methylpiperidin-4-yl)sulfanylmethyl]-1-benzofuran-2-yl]-phenylmethanone
CID 118849713
[3-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]-1-benzofuran-2-yl]-phenylmethanone
CID 40512828
3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
CID 61382547
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
phenyl-[3-[[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]methyl]-1-benzofuran-2-yl]methanone
CID 40845233
phenyl-[3-[[(R)-[3-(trifluoromethyl)phenyl]sulfinyl]methyl]-1-benzofuran-2-yl]methanone
CID 40845232
N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 8881063
[2-(methylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 29342619
2-benzoyl-1-benzofuran-3-sulfonamide
CID 70614621

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone?
The IUPAC name of phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone (CID 1476424) is phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone?
The canonical SMILES for phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone is O=C(c1ccccc1)c1oc2ccccc2c1CSc1ccccc1.
What is the InChIKey of phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone?
The InChIKey is UDUGLFWRHVENHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2S/c23-21(16-9-3-1-4-10-16)22-19(15-25-17-11-5-2-6-12-17)18-13-7-8-14-20(18)24-22/h1-14H,15H2.
What are the key properties of phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone?
phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone has a molecular weight of 344.44 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 1476424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).