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

C18H21FN2O3S2 — CID 110359006

IUPAC2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H21FN2O3S2/c1-2-16-7-8-18(25-16)26(23,24)21-11-9-20(10-12-21)13-17(22)14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3
InChIKeyVREGOXQDNKMBJV-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.64
Rot. Bonds6

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

2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 110359006) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID110359006
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC Name2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H21FN2O3S2/c1-2-16-7-8-18(25-16)26(23,24)21-11-9-20(10-12-21)13-17(22)14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3
InChIKeyVREGOXQDNKMBJV-UHFFFAOYSA-N
XLogP2.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366812
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659791
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 110659018
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
CID 110639091
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073430
1-(4-fluorophenyl)-2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone
CID 110356968

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 110359006) is 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone is CCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is VREGOXQDNKMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-2-16-7-8-18(25-16)26(23,24)21-11-9-20(10-12-21)13-17(22)14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3.
What are the key properties of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 396.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110359006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).