N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

C25H27ClN2OS — CID 23504859

IUPACN-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3csc4cc(Cl)ccc34)CC1)CC2
InChIInChI=1S/C25H27ClN2OS/c1-16(29)27-21-6-4-17-2-3-19(23(17)13-21)14-28-10-8-18(9-11-28)24-15-30-25-12-20(26)5-7-22(24)25/h4-7,12-13,15,18-19H,2-3,8-11,14H2,1H3,(H,27,29)
InChIKeyQFMUZECLKPMRBE-UHFFFAOYSA-N
MW439.02 g/mol
LogP6.42
Rot. Bonds4

About N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 23504859) has the molecular formula C25H27ClN2OS and a molecular weight of 439.02 g/mol. Its IUPAC name is N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID23504859
Molecular FormulaC25H27ClN2OS
Molecular Weight439.02 g/mol
Exact Mass438.15
IUPAC NameN-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3csc4cc(Cl)ccc34)CC1)CC2
InChIInChI=1S/C25H27ClN2OS/c1-16(29)27-21-6-4-17-2-3-19(23(17)13-21)14-28-10-8-18(9-11-28)24-15-30-25-12-20(26)5-7-22(24)25/h4-7,12-13,15,18-19H,2-3,8-11,14H2,1H3,(H,27,29)
InChIKeyQFMUZECLKPMRBE-UHFFFAOYSA-N
XLogP6.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.02
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 23504859) is N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3csc4cc(Cl)ccc34)CC1)CC2.
What is the InChIKey of N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is QFMUZECLKPMRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2OS/c1-16(29)27-21-6-4-17-2-3-19(23(17)13-21)14-28-10-8-18(9-11-28)24-15-30-25-12-20(26)5-7-22(24)25/h4-7,12-13,15,18-19H,2-3,8-11,14H2,1H3,(H,27,29).
What are the key properties of N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 439.02 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 23504859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).