N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide

C24H23ClN2O2S — CID 33308748

IUPACN-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1)c1ccccc1
InChIInChI=1S/C24H23ClN2O2S/c25-20-10-4-8-17-9-5-11-21(23(17)20)30-16-22(28)27-14-12-19(13-15-27)26-24(29)18-6-2-1-3-7-18/h1-11,19H,12-16H2,(H,26,29)
InChIKeyNKIJJCYYHFWAGQ-UHFFFAOYSA-N
MW438.98 g/mol
LogP5.01
Rot. Bonds5

About N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide

N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide (PubChem CID 33308748) has the molecular formula C24H23ClN2O2S and a molecular weight of 438.98 g/mol. Its IUPAC name is N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide
PubChem CID33308748
Molecular FormulaC24H23ClN2O2S
Molecular Weight438.98 g/mol
Exact Mass438.12
IUPAC NameN-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1)c1ccccc1
InChIInChI=1S/C24H23ClN2O2S/c25-20-10-4-8-17-9-5-11-21(23(17)20)30-16-22(28)27-14-12-19(13-15-27)26-24(29)18-6-2-1-3-7-18/h1-11,19H,12-16H2,(H,26,29)
InChIKeyNKIJJCYYHFWAGQ-UHFFFAOYSA-N
XLogP5.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443244
2-(8-chloronaphthalen-1-yl)sulfanyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111561971
2-(8-chloronaphthalen-1-yl)sulfanyl-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86877651
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 3508705
N-[1-[4-(4-chlorophenyl)sulfanylbutanoyl]piperidin-4-yl]benzamide
CID 24575407
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide
CID 33309093
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide (CID 33308748) is N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide?
The InChIKey is NKIJJCYYHFWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S/c25-20-10-4-8-17-9-5-11-21(23(17)20)30-16-22(28)27-14-12-19(13-15-27)26-24(29)18-6-2-1-3-7-18/h1-11,19H,12-16H2,(H,26,29).
What are the key properties of N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide?
N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide has a molecular weight of 438.98 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33308748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).