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

C21H24N2O3S — CID 38211664

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H24N2O3S/c24-20(14-27-19-5-4-15-2-1-3-16(15)12-19)22-18-6-9-23(10-7-18)21(25)17-8-11-26-13-17/h4-5,8,11-13,18H,1-3,6-7,9-10,14H2,(H,22,24)
InChIKeyYNVGUHZWSXBANC-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.28
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 38211664) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID38211664
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H24N2O3S/c24-20(14-27-19-5-4-15-2-1-3-16(15)12-19)22-18-6-9-23(10-7-18)21(25)17-8-11-26-13-17/h4-5,8,11-13,18H,1-3,6-7,9-10,14H2,(H,22,24)
InChIKeyYNVGUHZWSXBANC-UHFFFAOYSA-N
XLogP3.28
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46657290
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32532401
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
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
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 31840193
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 38212637
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597363
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 38496850
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 24660101

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide (CID 38211664) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide is O=C(CSc1ccc2c(c1)CCC2)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is YNVGUHZWSXBANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-20(14-27-19-5-4-15-2-1-3-16(15)12-19)22-18-6-9-23(10-7-18)21(25)17-8-11-26-13-17/h4-5,8,11-13,18H,1-3,6-7,9-10,14H2,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 38211664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).