(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one

C23H30N2O4S — CID 92672374

IUPAC(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17(2)21-7-5-6-8-22(21)29-19(4)23(26)24-13-15-25(16-14-24)30(27,28)20-11-9-18(3)10-12-20/h5-12,17,19H,13-16H2,1-4H3/t19-/m1/s1
InChIKeyQZAAKFOIQLYVDZ-LJQANCHMSA-N
MW430.57 g/mol
LogP3.42
Rot. Bonds6

About (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one

(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one (PubChem CID 92672374) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
PubChem CID92672374
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17(2)21-7-5-6-8-22(21)29-19(4)23(26)24-13-15-25(16-14-24)30(27,28)20-11-9-18(3)10-12-20/h5-12,17,19H,13-16H2,1-4H3/t19-/m1/s1
InChIKeyQZAAKFOIQLYVDZ-LJQANCHMSA-N
XLogP3.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one with MolForge

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Related Compounds

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43875713
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 28568311
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-bromo-4-methylphenoxy)propan-1-one
CID 51545756
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 26201301
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 18105488
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92679201
1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 108544081
1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 108546579
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-bromo-2-chlorophenoxy)propan-1-one
CID 26542842
(2R)-2-(2-propan-2-ylphenoxy)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 42562907

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one (CID 92672374) is (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one is Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1.
What is the InChIKey of (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
The InChIKey is QZAAKFOIQLYVDZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17(2)21-7-5-6-8-22(21)29-19(4)23(26)24-13-15-25(16-14-24)30(27,28)20-11-9-18(3)10-12-20/h5-12,17,19H,13-16H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one has a molecular weight of 430.57 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 92672374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).