1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine

C20H28N2O3S — CID 17060359

IUPAC1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C)o3)CC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-16(2)18-6-9-20(10-7-18)26(23,24)22-13-11-21(12-14-22)15-19-8-5-17(3)25-19/h5-10,16H,4,11-15H2,1-3H3
InChIKeyRIUXPVCXQJUEIB-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine

1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 17060359) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID17060359
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C)o3)CC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-16(2)18-6-9-20(10-7-18)26(23,24)22-13-11-21(12-14-22)15-19-8-5-17(3)25-19/h5-10,16H,4,11-15H2,1-3H3
InChIKeyRIUXPVCXQJUEIB-UHFFFAOYSA-N
XLogP3.61
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 51245978
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060352
1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine
CID 71189179
4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55472136
(2S)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 9439886
3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 42911287
1-[(5-methylfuran-2-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17060392
1-[[5-[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 46582069
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 112815197
3-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 30142306

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine (CID 17060359) is 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine is CCC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C)o3)CC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is RIUXPVCXQJUEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-4-16(2)18-6-9-20(10-7-18)26(23,24)22-13-11-21(12-14-22)15-19-8-5-17(3)25-19/h5-10,16H,4,11-15H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 376.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 17060359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).