(3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one

C19H15NOS2 — CID 139040231

IUPAC(3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(Cc1cccs1)Sc1ccccc1
InChIInChI=1S/C19H15NOS2/c21-18-19(13-15-9-6-12-22-15,23-14-7-2-1-3-8-14)16-10-4-5-11-17(16)20-18/h1-12H,13H2,(H,20,21)/t19-/m1/s1
InChIKeyFCZYKXSGZHCYPZ-LJQANCHMSA-N
MW337.47 g/mol
LogP4.93
Rot. Bonds4

About (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one

(3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one (PubChem CID 139040231) has the molecular formula C19H15NOS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one
PubChem CID139040231
Molecular FormulaC19H15NOS2
Molecular Weight337.47 g/mol
Exact Mass337.06
IUPAC Name(3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(Cc1cccs1)Sc1ccccc1
InChIInChI=1S/C19H15NOS2/c21-18-19(13-15-9-6-12-22-15,23-14-7-2-1-3-8-14)16-10-4-5-11-17(16)20-18/h1-12H,13H2,(H,20,21)/t19-/m1/s1
InChIKeyFCZYKXSGZHCYPZ-LJQANCHMSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2803153
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(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383
3-phenoxy-3-phenyl-1H-indol-2-one
CID 86077278
(3S,4'S)-3'-[(E)-2-phenylethenyl]-4'-(thiophene-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 51426545
(1R,4S,7S,9R)-9-[(1R,4S,7S,9R)-3,6-dioxo-4-(thiophen-2-ylmethyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-(thiophen-2-ylmethyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CID 11765103
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
3,3-dichloro-1H-indol-2-one
CID 719018
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 164646289
3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
CID 83034918
5-(2-pyridin-1-ium-4-ylethyl)-5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione chloride
CID 171151517

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one?
The IUPAC name of (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one (CID 139040231) is (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one?
The canonical SMILES for (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one is O=C1Nc2ccccc2[C@@]1(Cc1cccs1)Sc1ccccc1.
What is the InChIKey of (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one?
The InChIKey is FCZYKXSGZHCYPZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15NOS2/c21-18-19(13-15-9-6-12-22-15,23-14-7-2-1-3-8-14)16-10-4-5-11-17(16)20-18/h1-12H,13H2,(H,20,21)/t19-/m1/s1.
What are the key properties of (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one?
(3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one has a molecular weight of 337.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 139040231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).