1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C17H16N2O4S2 — CID 2550616

IUPAC1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H16N2O4S2/c20-17(15-12-13-4-1-2-5-14(13)23-15)18-7-9-19(10-8-18)25(21,22)16-6-3-11-24-16/h1-6,11-12H,7-10H2
InChIKeyNZUMJGCVPWUEQT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.64
Rot. Bonds3

About 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2550616) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2550616
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H16N2O4S2/c20-17(15-12-13-4-1-2-5-14(13)23-15)18-7-9-19(10-8-18)25(21,22)16-6-3-11-24-16/h1-6,11-12H,7-10H2
InChIKeyNZUMJGCVPWUEQT-UHFFFAOYSA-N
XLogP2.64
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[3-Methyl-5-(pyrrolidin-1-ylsulfonyl)-1-benzofuran-2-yl]carbonyl}morpholine
CID 3239857
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 662750
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2675152
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,N-diethyl-3-methyl-1-benzofuran-2-carboxamide
CID 4130590
Ethyl 4-[5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate
CID 4462544
N-benzyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 11496202
N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 67511180
N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 67512362
1-[(3-Methyl-1-benzofuran-2-yl)carbonyl]-4-(methylsulfonyl)piperazine
CID 1247035
3-Methylbenzo[d]furan-2-yl 4-(phenylsulfonyl)piperazinyl ketone
CID 2225152
Ethyl 4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoate
CID 2402306
Furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2496667

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2550616) is 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is NZUMJGCVPWUEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c20-17(15-12-13-4-1-2-5-14(13)23-15)18-7-9-19(10-8-18)25(21,22)16-6-3-11-24-16/h1-6,11-12H,7-10H2.
What are the key properties of 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2550616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).