2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C21H22N2OS2 — CID 9180639

IUPAC2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C21H22N2OS2/c24-21(16-26-20-6-5-18-3-1-2-4-19(18)13-20)23-10-8-22(9-11-23)14-17-7-12-25-15-17/h1-7,12-13,15H,8-11,14,16H2
InChIKeyFYAUNYRFBZNGTO-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.34
Rot. Bonds5

About 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 9180639) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID9180639
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC Name2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C21H22N2OS2/c24-21(16-26-20-6-5-18-3-1-2-4-19(18)13-20)23-10-8-22(9-11-23)14-17-7-12-25-15-17/h1-7,12-13,15H,8-11,14,16H2
InChIKeyFYAUNYRFBZNGTO-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
1-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43908594
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782896
3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 24505236
N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
CID 24643512
2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86944043
2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 78797905
1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 119373976
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134711962
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 9180639) is 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is O=C(CSc1ccc2ccccc2c1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is FYAUNYRFBZNGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c24-21(16-26-20-6-5-18-3-1-2-4-19(18)13-20)23-10-8-22(9-11-23)14-17-7-12-25-15-17/h1-7,12-13,15H,8-11,14,16H2.
What are the key properties of 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 382.55 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9180639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).