(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one

C23H28N2O4S — CID 41081879

IUPAC(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
SMILESCCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H28N2O4S/c1-3-7-22(20-8-5-4-6-9-20)23(27)24-14-16-25(17-15-24)30(28,29)21-12-10-19(11-13-21)18(2)26/h4-6,8-13,22H,3,7,14-17H2,1-2H3/t22-/m0/s1
InChIKeyNSJRSBCGHLXSGB-QFIPXVFZSA-N
MW428.55 g/mol
LogP3.31
Rot. Bonds7

About (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one

(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one (PubChem CID 41081879) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
PubChem CID41081879
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
SMILESCCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H28N2O4S/c1-3-7-22(20-8-5-4-6-9-20)23(27)24-14-16-25(17-15-24)30(28,29)21-12-10-19(11-13-21)18(2)26/h4-6,8-13,22H,3,7,14-17H2,1-2H3/t22-/m0/s1
InChIKeyNSJRSBCGHLXSGB-QFIPXVFZSA-N
XLogP3.31
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one 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

4-(2-phenylpentanoyl)piperazine-1-sulfonamide
CID 56786878
2-phenyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55337932
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethoxypropan-1-one
CID 55686891
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 18289403
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 17191200
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-amino-3-methoxypropan-1-one
CID 120983396
1-[4-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 112765372
N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 133187649
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone
CID 24683506
(2S)-1-(4-methylsulfonylpiperazin-1-yl)-2-phenylbutan-1-one
CID 1246525

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
The IUPAC name of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one (CID 41081879) is (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one.
What is the SMILES notation for (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
The canonical SMILES for (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one is CCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1.
What is the InChIKey of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
The InChIKey is NSJRSBCGHLXSGB-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-3-7-22(20-8-5-4-6-9-20)23(27)24-14-16-25(17-15-24)30(28,29)21-12-10-19(11-13-21)18(2)26/h4-6,8-13,22H,3,7,14-17H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one has a molecular weight of 428.55 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one is sourced from PubChem (CID 41081879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).