1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone

C17H20N2O4S2 — CID 2456928

IUPAC1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-15-2-4-16(5-3-15)25(21,22)19-9-7-18(8-10-19)17(20)12-14-6-11-24-13-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyQRSGXBIWONZHQT-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.83
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 2456928) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
PubChem CID2456928
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-15-2-4-16(5-3-15)25(21,22)19-9-7-18(8-10-19)17(20)12-14-6-11-24-13-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyQRSGXBIWONZHQT-UHFFFAOYSA-N
XLogP1.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-4-(thiophen-3-ylmethylsulfanyl)-butyramide
CID 10994350
[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 1147989
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 4790991
(2R)-N-hydroxy-2-[(4-methoxybenzene)[2-(thiophen-3-yl)ethyl]sulfonamido]-3-methylbutanamide
CID 6539656
[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2671442
3-(4-Methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4784924
2-(2-Methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 6465259
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9036557
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
4-methoxy-N-{[1-(2-thienylcarbonyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 16189611

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone (CID 2456928) is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is QRSGXBIWONZHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-23-15-2-4-16(5-3-15)25(21,22)19-9-7-18(8-10-19)17(20)12-14-6-11-24-13-14/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 380.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 2456928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).