[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone

C18H20F2N2O3S2 — CID 9370334

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)sc1C
InChIInChI=1S/C18H20F2N2O3S2/c1-3-13-11-16(26-12(13)2)18(23)21-7-9-22(10-8-21)27(24,25)17-14(19)5-4-6-15(17)20/h4-6,11H,3,7-10H2,1-2H3
InChIKeyKXUUEWBLXLRXPN-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.04
Rot. Bonds4

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone (PubChem CID 9370334) has the molecular formula C18H20F2N2O3S2 and a molecular weight of 414.50 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
PubChem CID9370334
Molecular FormulaC18H20F2N2O3S2
Molecular Weight414.50 g/mol
Exact Mass414.09
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)sc1C
InChIInChI=1S/C18H20F2N2O3S2/c1-3-13-11-16(26-12(13)2)18(23)21-7-9-22(10-8-21)27(24,25)17-14(19)5-4-6-15(17)20/h4-6,11H,3,7-10H2,1-2H3
InChIKeyKXUUEWBLXLRXPN-UHFFFAOYSA-N
XLogP3.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-5-methylthiophen-2-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38753324
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
CID 26382500
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 55716288
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 9094624
(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 34518015
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448046
(3-bromo-5-fluorophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55704253
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
(4-ethyl-5-methylthiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 24584459

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone (CID 9370334) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone is CCc1cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)sc1C.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone?
The InChIKey is KXUUEWBLXLRXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S2/c1-3-13-11-16(26-12(13)2)18(23)21-7-9-22(10-8-21)27(24,25)17-14(19)5-4-6-15(17)20/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone has a molecular weight of 414.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 9370334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).