(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone

C22H20N2OS — CID 91624751

IUPAC(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCCSc1ccccc1C(=O)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C22H20N2OS/c1-2-26-21-6-4-3-5-19(21)22(25)24-14-11-18-15-17(7-8-20(18)24)16-9-12-23-13-10-16/h3-10,12-13,15H,2,11,14H2,1H3
InChIKeySTURWOLQXWVWHL-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.06
Rot. Bonds4

About (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone

(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 91624751) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID91624751
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCCSc1ccccc1C(=O)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C22H20N2OS/c1-2-26-21-6-4-3-5-19(21)22(25)24-14-11-18-15-17(7-8-20(18)24)16-9-12-23-13-10-16/h3-10,12-13,15H,2,11,14H2,1H3
InChIKeySTURWOLQXWVWHL-UHFFFAOYSA-N
XLogP5.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91624748
2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 76587033
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
tert-butyl-[(2R)-1-oxo-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-2-yl]carbamic acid
CID 69077584
benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate
CID 91624775
N,N-diethyl-1-(2-propan-2-ylsulfonylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 55667997
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 55531006
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
2-ethylsulfanyl-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
CID 147998284
1-[10-(2-methylpropyl)-14-pyridin-4-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl]ethanone
CID 110075613
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
CID 83209308

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 91624751) is (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is CCSc1ccccc1C(=O)N1CCc2cc(-c3ccncc3)ccc21.
What is the InChIKey of (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is STURWOLQXWVWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-2-26-21-6-4-3-5-19(21)22(25)24-14-11-18-15-17(7-8-20(18)24)16-9-12-23-13-10-16/h3-10,12-13,15H,2,11,14H2,1H3.
What are the key properties of (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 91624751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).