N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

C23H27ClN2OS — CID 8934702

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2OS/c24-20-7-4-17(5-8-20)15-26-12-10-21(11-13-26)25-23(27)16-28-22-9-6-18-2-1-3-19(18)14-22/h4-9,14,21H,1-3,10-13,15-16H2,(H,25,27)
InChIKeyWAYBBJDXVKZWHY-UHFFFAOYSA-N
MW415.00 g/mol
LogP4.70
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (PubChem CID 8934702) has the molecular formula C23H27ClN2OS and a molecular weight of 415.00 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
PubChem CID8934702
Molecular FormulaC23H27ClN2OS
Molecular Weight415.00 g/mol
Exact Mass414.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2OS/c24-20-7-4-17(5-8-20)15-26-12-10-21(11-13-26)25-23(27)16-28-22-9-6-18-2-1-3-19(18)14-22/h4-9,14,21H,1-3,10-13,15-16H2,(H,25,27)
InChIKeyWAYBBJDXVKZWHY-UHFFFAOYSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.00
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46657290
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55428451
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 104927939
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38211664
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 55428186
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736819

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide (CID 8934702) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is O=C(CSc1ccc2c(c1)CCC2)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
The InChIKey is WAYBBJDXVKZWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2OS/c24-20-7-4-17(5-8-20)15-26-12-10-21(11-13-26)25-23(27)16-28-22-9-6-18-2-1-3-19(18)14-22/h4-9,14,21H,1-3,10-13,15-16H2,(H,25,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide has a molecular weight of 415.00 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide is sourced from PubChem (CID 8934702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).