2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C26H26N2O3S — CID 55343590

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C26H26N2O3S/c1-27(17-20-10-4-7-13-23(20)31-2)26(30)21-11-5-8-14-24(21)32-18-25(29)28-16-15-19-9-3-6-12-22(19)28/h3-14H,15-18H2,1-2H3
InChIKeyJUCQYXAMAFGOAQ-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.65
Rot. Bonds7

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 55343590) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID55343590
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C26H26N2O3S/c1-27(17-20-10-4-7-13-23(20)31-2)26(30)21-11-5-8-14-24(21)32-18-25(29)28-16-15-19-9-3-6-12-22(19)28/h3-14H,15-18H2,1-2H3
InChIKeyJUCQYXAMAFGOAQ-UHFFFAOYSA-N
XLogP4.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55337391
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112810627
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 42990126
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(dimethylamino)ethyl]benzamide
CID 146122881
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119506702
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405690
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-(dimethylamino)phenyl]benzamide
CID 78776545
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide
CID 112816205
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113121269
methyl 4-[[[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoyl]amino]methyl]benzoate
CID 46601591

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 55343590) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is JUCQYXAMAFGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-27(17-20-10-4-7-13-23(20)31-2)26(30)21-11-5-8-14-24(21)32-18-25(29)28-16-15-19-9-3-6-12-22(19)28/h3-14H,15-18H2,1-2H3.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 446.57 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55343590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).