[2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone

C19H22N2O4S2 — CID 56571912

IUPAC[2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S2/c1-27(24,25)14-12-20-8-10-21(11-9-20)19(23)16-6-3-2-5-15(16)18(22)17-7-4-13-26-17/h2-7,13H,8-12,14H2,1H3
InChIKeyZXFZXOFIXOPOAL-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.78
Rot. Bonds6

About [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone

[2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone (PubChem CID 56571912) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone
PubChem CID56571912
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name[2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S2/c1-27(24,25)14-12-20-8-10-21(11-9-20)19(23)16-6-3-2-5-15(16)18(22)17-7-4-13-26-17/h2-7,13H,8-12,14H2,1H3
InChIKeyZXFZXOFIXOPOAL-UHFFFAOYSA-N
XLogP1.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-iodophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753470
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 56571935
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 17420704
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 36681795
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 47314564
[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-thiophen-2-ylmethanone
CID 55677746
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridinyl)methanone
CID 56533625
[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119579880
[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 17418125
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone (CID 56571912) is [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone is CS(=O)(=O)CCN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1.
What is the InChIKey of [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone?
The InChIKey is ZXFZXOFIXOPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-27(24,25)14-12-20-8-10-21(11-9-20)19(23)16-6-3-2-5-15(16)18(22)17-7-4-13-26-17/h2-7,13H,8-12,14H2,1H3.
What are the key properties of [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone?
[2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone has a molecular weight of 406.53 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 56571912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).