(3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one

C22H19NO2S — CID 102293421

IUPAC(3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one
SMILESCOc1ccc(C[C@]2(Sc3ccccc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H19NO2S/c1-25-17-13-11-16(12-14-17)15-22(26-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23-21(22)24/h2-14H,15H2,1H3,(H,23,24)/t22-/m1/s1
InChIKeyHVAXJLMXFHEQHY-JOCHJYFZSA-N
MW361.47 g/mol
LogP4.88
Rot. Bonds5

About (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one

(3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one (PubChem CID 102293421) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one
PubChem CID102293421
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name(3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one
SMILESCOc1ccc(C[C@]2(Sc3ccccc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H19NO2S/c1-25-17-13-11-16(12-14-17)15-22(26-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23-21(22)24/h2-14H,15H2,1H3,(H,23,24)/t22-/m1/s1
InChIKeyHVAXJLMXFHEQHY-JOCHJYFZSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one 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

Oxyphenisatin Acetate
CID 8269
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
3-[4-(trifluoromethoxy)benzyl]-1,3-dihydro-2H-indol-2-one
CID 16413179
2-(2-methoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 803097
5-(3-Methoxy-phenyl)-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 9860141
2-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]acetamide
CID 1234709
N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide
CID 2886866
8-(4-methoxyphenyl)-6-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
CID 4269674
(3aR,4R)-4-(4-methoxyphenyl)-2,3,3a,4-tetrahydropyrrolo[2,1-c][1,4]benzothiazin-1-one
CID 9995607
(3aS,4S)-4-(4-methoxyphenyl)-2,3,3a,4-tetrahydropyrrolo[2,1-c][1,4]benzothiazin-1-one
CID 44274751
3-[(3-fluorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one
CID 49789435
(3Z)-3-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1H-indol-2-one
CID 122182250

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one?
The IUPAC name of (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one (CID 102293421) is (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one is COc1ccc(C[C@]2(Sc3ccccc3)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one?
The InChIKey is HVAXJLMXFHEQHY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-25-17-13-11-16(12-14-17)15-22(26-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23-21(22)24/h2-14H,15H2,1H3,(H,23,24)/t22-/m1/s1.
What are the key properties of (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one?
(3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one has a molecular weight of 361.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indol-2-one is sourced from PubChem (CID 102293421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).