1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone

C18H22N2O3S2 — CID 110364906

IUPAC1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)s1
InChIInChI=1S/C18H22N2O3S2/c1-2-16-8-9-18(24-16)25(22,23)20-12-10-19(11-13-20)17(21)14-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3
InChIKeyBXTVQPAWYMNGSB-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.39
Rot. Bonds5

About 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone

1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone (PubChem CID 110364906) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
PubChem CID110364906
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)s1
InChIInChI=1S/C18H22N2O3S2/c1-2-16-8-9-18(24-16)25(22,23)20-12-10-19(11-13-20)17(21)14-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3
InChIKeyBXTVQPAWYMNGSB-UHFFFAOYSA-N
XLogP2.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110798086
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 17145704
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 42908172
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 33176973

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone (CID 110364906) is 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone is CCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)s1.
What is the InChIKey of 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The InChIKey is BXTVQPAWYMNGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-2-16-8-9-18(24-16)25(22,23)20-12-10-19(11-13-20)17(21)14-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3.
What are the key properties of 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone?
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone has a molecular weight of 378.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110364906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).