1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone

C20H27N3O4S — CID 9331932

IUPAC1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccco3)CC2)c(C)c1
InChIInChI=1S/C20H27N3O4S/c1-16-6-7-19(17(2)13-16)28(25,26)23-10-8-22(9-11-23)20(24)15-21(3)14-18-5-4-12-27-18/h4-7,12-13H,8-11,14-15H2,1-3H3
InChIKeyCFWNTIRFWYUFPF-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.86
Rot. Bonds6

About 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone

1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone (PubChem CID 9331932) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone
PubChem CID9331932
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccco3)CC2)c(C)c1
InChIInChI=1S/C20H27N3O4S/c1-16-6-7-19(17(2)13-16)28(25,26)23-10-8-22(9-11-23)20(24)15-21(3)14-18-5-4-12-27-18/h4-7,12-13H,8-11,14-15H2,1-3H3
InChIKeyCFWNTIRFWYUFPF-UHFFFAOYSA-N
XLogP1.86
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]ethanone
CID 8919704
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 27650062
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 7676494
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone
CID 8857020
3-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 78823071
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-propoxyethanone
CID 48651964
2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone
CID 8896786
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 55623649
2-[furan-2-ylmethyl(methyl)amino]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18124354

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone (CID 9331932) is 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccco3)CC2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone?
The InChIKey is CFWNTIRFWYUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-16-6-7-19(17(2)13-16)28(25,26)23-10-8-22(9-11-23)20(24)15-21(3)14-18-5-4-12-27-18/h4-7,12-13H,8-11,14-15H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone?
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone has a molecular weight of 405.52 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[furan-2-ylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 9331932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).