[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone

C22H24N2O4S — CID 55929335

IUPAC[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)c(C)c1
InChIInChI=1S/C22H24N2O4S/c1-15-5-7-21(17(3)12-15)29(26,27)24-10-8-23(9-11-24)22(25)20-14-18-13-16(2)4-6-19(18)28-20/h4-7,12-14H,8-11H2,1-3H3
InChIKeyXAFJYTRFUIZBEJ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.50
Rot. Bonds3

About [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 55929335) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID55929335
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)c(C)c1
InChIInChI=1S/C22H24N2O4S/c1-15-5-7-21(17(3)12-15)29(26,27)24-10-8-23(9-11-24)22(25)20-14-18-13-16(2)4-6-19(18)28-20/h4-7,12-14H,8-11H2,1-3H3
InChIKeyXAFJYTRFUIZBEJ-UHFFFAOYSA-N
XLogP3.50
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929837
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 78867327
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 55623649
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38408302
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
(5-bromo-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 46431094
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 17470269
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 4807376
(5-chlorothiophen-2-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4808834
2,3-dihydro-1H-inden-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9011607

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone (CID 55929335) is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is XAFJYTRFUIZBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-5-7-21(17(3)12-15)29(26,27)24-10-8-23(9-11-24)22(25)20-14-18-13-16(2)4-6-19(18)28-20/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone?
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 412.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 55929335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).