1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone

C19H24N2O3S2 — CID 24979939

IUPAC1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15(2)17-3-5-18(6-4-17)26(23,24)21-10-8-20(9-11-21)19(22)13-16-7-12-25-14-16/h3-7,12,14-15H,8-11,13H2,1-2H3
InChIKeyFBKUTQBDQVPJDC-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.95
Rot. Bonds5

About 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone

1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 24979939) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
PubChem CID24979939
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15(2)17-3-5-18(6-4-17)26(23,24)21-10-8-20(9-11-21)19(22)13-16-7-12-25-14-16/h3-7,12,14-15H,8-11,13H2,1-2H3
InChIKeyFBKUTQBDQVPJDC-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone (CID 24979939) is 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccsc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is FBKUTQBDQVPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15(2)17-3-5-18(6-4-17)26(23,24)21-10-8-20(9-11-21)19(22)13-16-7-12-25-14-16/h3-7,12,14-15H,8-11,13H2,1-2H3.
What are the key properties of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone?
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 392.55 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 24979939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).