N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

C18H24N2O2S — CID 46657290

IUPACN-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CSc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H24N2O2S/c1-13(21)20-9-7-16(8-10-20)19-18(22)12-23-17-6-5-14-3-2-4-15(14)11-17/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,19,22)
InChIKeyDLVYVKNZKQJIFL-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.39
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (PubChem CID 46657290) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
PubChem CID46657290
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CSc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H24N2O2S/c1-13(21)20-9-7-16(8-10-20)19-18(22)12-23-17-6-5-14-3-2-4-15(14)11-17/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,19,22)
InChIKeyDLVYVKNZKQJIFL-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38211664
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8934702
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 104927939
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597363
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597323
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596582
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (CID 46657290) is N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is CC(=O)N1CCC(NC(=O)CSc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The InChIKey is DLVYVKNZKQJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13(21)20-9-7-16(8-10-20)19-18(22)12-23-17-6-5-14-3-2-4-15(14)11-17/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,19,22).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is sourced from PubChem (CID 46657290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).