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

C16H18N2O4S2 — CID 1147989

IUPAC[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-22-13-4-6-14(7-5-13)24(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3
InChIKeyJULZOFFFIPVAHE-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.90
Rot. Bonds4

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

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1147989) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1147989
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-22-13-4-6-14(7-5-13)24(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3
InChIKeyJULZOFFFIPVAHE-UHFFFAOYSA-N
XLogP1.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 23513795
1-(4-But-2-ynyloxy-benzenesulfonyl)-4-(thiophene-2-carbonyl)-piperazine-2-carboxylic acid hydroxyamide
CID 9912235
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 4790991
[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2671442
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9036557
N-hydroxy-1-(4-methoxyphenylsulfonyl)-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 10622296
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
1-[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 24981970
1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-(thiophene-2-carbonyl)-1,4-diazepane-2-carboxamide
CID 44390391
1-(Phenoxyacetyl)-4-(2-thienylcarbonyl)piperazine
CID 647147

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 1147989) is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JULZOFFFIPVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-22-13-4-6-14(7-5-13)24(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-23-15/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 366.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1147989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).