2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide

C25H30N2O2S — CID 112816567

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O2S/c1-2-18-11-13-20(14-12-18)26-25(29)21-8-4-6-10-23(21)30-17-24(28)27-16-15-19-7-3-5-9-22(19)27/h3-10,18,20H,2,11-17H2,1H3,(H,26,29)
InChIKeyGWNZGHWKIKPYST-UHFFFAOYSA-N
MW422.59 g/mol
LogP5.07
Rot. Bonds6

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide (PubChem CID 112816567) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide
PubChem CID112816567
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O2S/c1-2-18-11-13-20(14-12-18)26-25(29)21-8-4-6-10-23(21)30-17-24(28)27-16-15-19-7-3-5-9-22(19)27/h3-10,18,20H,2,11-17H2,1H3,(H,26,29)
InChIKeyGWNZGHWKIKPYST-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451548
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119506702
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
N-(2-aminoethyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119383530
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylbutan-2-yl)benzamide
CID 78780144
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(dimethylamino)ethyl]benzamide
CID 146122881
N-(3-aminobutyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119496904
N-(3-aminopropyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119406624
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 112762206
N-(2-amino-1-cyclopropylethyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119614931
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 55678862
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-(dimethylamino)phenyl]benzamide
CID 78776545

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide (CID 112816567) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide is CCC1CCC(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide?
The InChIKey is GWNZGHWKIKPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-2-18-11-13-20(14-12-18)26-25(29)21-8-4-6-10-23(21)30-17-24(28)27-16-15-19-7-3-5-9-22(19)27/h3-10,18,20H,2,11-17H2,1H3,(H,26,29).
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide has a molecular weight of 422.59 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide is sourced from PubChem (CID 112816567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).