[2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone

C18H19NO2S — CID 91287638

IUPAC[2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone
SMILESCCCc1ccc(S(=O)(=C=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2S/c1-2-5-15-8-10-17(11-9-15)22(21,14-20)19-13-12-16-6-3-4-7-18(16)19/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyDERBGQYNPJXQLQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.33
Rot. Bonds4

About [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone

[2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone (PubChem CID 91287638) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone.

Molecular Properties

Compound Name[2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone
PubChem CID91287638
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name[2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone
SMILESCCCc1ccc(S(=O)(=C=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2S/c1-2-5-15-8-10-17(11-9-15)22(21,14-20)19-13-12-16-6-3-4-7-18(16)19/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyDERBGQYNPJXQLQ-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 46382906
N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 47784402
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1,3-bis[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-diethylurea
CID 17139329
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984032
N-benzyl-N-methyl-2,3-dihydroindole-1-sulfonamide
CID 110865657
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2501912
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone?
The IUPAC name of [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone (CID 91287638) is [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone.
What is the SMILES notation for [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone?
The canonical SMILES for [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone is CCCc1ccc(S(=O)(=C=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone?
The InChIKey is DERBGQYNPJXQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-2-5-15-8-10-17(11-9-15)22(21,14-20)19-13-12-16-6-3-4-7-18(16)19/h3-4,6-11H,2,5,12-13H2,1H3.
What are the key properties of [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone?
[2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone has a molecular weight of 313.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone is sourced from PubChem (CID 91287638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).