2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide

C22H24N2O2S — CID 86881488

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)CSc1ccc2c(c1)CCC2)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-15(22(26)24-12-11-17-5-2-3-8-20(17)24)23-21(25)14-27-19-10-9-16-6-4-7-18(16)13-19/h2-3,5,8-10,13,15H,4,6-7,11-12,14H2,1H3,(H,23,25)
InChIKeyVCOLCDJIMWJKLG-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 86881488) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID86881488
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)CSc1ccc2c(c1)CCC2)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-15(22(26)24-12-11-17-5-2-3-8-20(17)24)23-21(25)14-27-19-10-9-16-6-4-7-18(16)13-19/h2-3,5,8-10,13,15H,4,6-7,11-12,14H2,1H3,(H,23,25)
InChIKeyVCOLCDJIMWJKLG-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
CID 53125880
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86882621
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-(3-methoxyphenyl)acetamide
CID 53125892

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide (CID 86881488) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide is CC(NC(=O)CSc1ccc2c(c1)CCC2)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is VCOLCDJIMWJKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15(22(26)24-12-11-17-5-2-3-8-20(17)24)23-21(25)14-27-19-10-9-16-6-4-7-18(16)13-19/h2-3,5,8-10,13,15H,4,6-7,11-12,14H2,1H3,(H,23,25).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 86881488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).