1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone

C20H22N6O5S2 — CID 24601556

IUPAC1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H22N6O5S2/c1-15(27)16-4-6-18(7-5-16)33(29,30)25-10-8-24(9-11-25)19(28)14-32-20-21-22-23-26(20)13-17-3-2-12-31-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyJENGILBDBZFYFF-UHFFFAOYSA-N
MW490.57 g/mol
LogP1.14
Rot. Bonds8

About 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 24601556) has the molecular formula C20H22N6O5S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
PubChem CID24601556
Molecular FormulaC20H22N6O5S2
Molecular Weight490.57 g/mol
Exact Mass490.11
IUPAC Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H22N6O5S2/c1-15(27)16-4-6-18(7-5-16)33(29,30)25-10-8-24(9-11-25)19(28)14-32-20-21-22-23-26(20)13-17-3-2-12-31-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyJENGILBDBZFYFF-UHFFFAOYSA-N
XLogP1.14
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone 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

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylethanone
CID 55997543
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 30096126
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone
CID 24683506
2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 42965374
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 24587280
N-cyclopropyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 47138151
N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 27783595
butyl 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47138505
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
CID 17481501
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
CID 24572572
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2503306

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone (CID 24601556) is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3Cc3ccco3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is JENGILBDBZFYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5S2/c1-15(27)16-4-6-18(7-5-16)33(29,30)25-10-8-24(9-11-25)19(28)14-32-20-21-22-23-26(20)13-17-3-2-12-31-17/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 490.57 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 24601556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).