1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine

C22H28N2O5S — CID 35315223

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-16-12-20(27-2)21(28-3)14-22(16)30(25,26)24-9-7-23(8-10-24)15-17-4-5-19-18(13-17)6-11-29-19/h4-5,12-14H,6-11,15H2,1-3H3
InChIKeyUAZORBWCSGHAEA-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.45
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine (PubChem CID 35315223) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine
PubChem CID35315223
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-16-12-20(27-2)21(28-3)14-22(16)30(25,26)24-9-7-23(8-10-24)15-17-4-5-19-18(13-17)6-11-29-19/h4-5,12-14H,6-11,15H2,1-3H3
InChIKeyUAZORBWCSGHAEA-UHFFFAOYSA-N
XLogP2.45
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazine
CID 6499747
1-(4-bromophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine
CID 26542079
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-methylphenyl)methyl]piperazine
CID 55361889
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 1088784
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693981
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693973
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192
1-benzyl-4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine
CID 27658453
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 31608304
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 110758854

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine (CID 35315223) is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine?
The InChIKey is UAZORBWCSGHAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-12-20(27-2)21(28-3)14-22(16)30(25,26)24-9-7-23(8-10-24)15-17-4-5-19-18(13-17)6-11-29-19/h4-5,12-14H,6-11,15H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine?
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine has a molecular weight of 432.54 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 35315223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).