1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone

C20H19ClN2O3S — CID 11589465

IUPAC1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone
SMILESCC(=O)N1CCN(C(=O)CSc2cc(Cl)c3oc4ccccc4c3c2)CC1
InChIInChI=1S/C20H19ClN2O3S/c1-13(24)22-6-8-23(9-7-22)19(25)12-27-14-10-16-15-4-2-3-5-18(15)26-20(16)17(21)11-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyUTCJIIWEZDRNDY-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.02
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone

1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone (PubChem CID 11589465) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone
PubChem CID11589465
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone
SMILESCC(=O)N1CCN(C(=O)CSc2cc(Cl)c3oc4ccccc4c3c2)CC1
InChIInChI=1S/C20H19ClN2O3S/c1-13(24)22-6-8-23(9-7-22)19(25)12-27-14-10-16-15-4-2-3-5-18(15)26-20(16)17(21)11-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyUTCJIIWEZDRNDY-UHFFFAOYSA-N
XLogP4.02
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-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-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
4-chlorodibenzofuran-2-ol
CID 170647423
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 8819417
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanone
CID 9489698
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
5-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-2-chlorobenzoic acid
CID 113371637
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 26756892
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
2-(4-bromophenyl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 39075000
1-(azepan-1-yl)-2-(2,6-dichlorophenyl)sulfanylethanone
CID 112778036

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone (CID 11589465) is 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone is CC(=O)N1CCN(C(=O)CSc2cc(Cl)c3oc4ccccc4c3c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone?
The InChIKey is UTCJIIWEZDRNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-13(24)22-6-8-23(9-7-22)19(25)12-27-14-10-16-15-4-2-3-5-18(15)26-20(16)17(21)11-14/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone?
1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone has a molecular weight of 402.90 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone is sourced from PubChem (CID 11589465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).