1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone

C22H24N2O4S2 — CID 60592066

IUPAC1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c(C)s1
InChIInChI=1S/C22H24N2O4S2/c1-16-13-21(17(2)29-16)30(26,27)24-11-9-23(10-12-24)22(25)15-28-20-8-7-18-5-3-4-6-19(18)14-20/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyGTOVPEKONRMSKB-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 60592066) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID60592066
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c(C)s1
InChIInChI=1S/C22H24N2O4S2/c1-16-13-21(17(2)29-16)30(26,27)24-11-9-23(10-12-24)22(25)15-28-20-8-7-18-5-3-4-6-19(18)14-20/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyGTOVPEKONRMSKB-UHFFFAOYSA-N
XLogP3.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 1151528
1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
CID 91465779
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
4-amino-1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119307459
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 26216088
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
CID 86955690
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone (CID 60592066) is 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone is Cc1cc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c(C)s1.
What is the InChIKey of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is GTOVPEKONRMSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-16-13-21(17(2)29-16)30(26,27)24-11-9-23(10-12-24)22(25)15-28-20-8-7-18-5-3-4-6-19(18)14-20/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 444.58 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 60592066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).