3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C27H36N2O4S — CID 154877748

IUPAC3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(c3ccc(O)cc3)C3CC3)CC2)c(C)c1C
InChIInChI=1S/C27H36N2O4S/c1-17-18(2)20(4)27(21(5)19(17)3)34(32,33)29-14-12-28(13-15-29)26(31)16-25(22-6-7-22)23-8-10-24(30)11-9-23/h8-11,22,25,30H,6-7,12-16H2,1-5H3
InChIKeyWYXZDWGPFYZQDP-UHFFFAOYSA-N
MW484.66 g/mol
LogP4.35
Rot. Bonds6

About 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 154877748) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID154877748
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC Name3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(c3ccc(O)cc3)C3CC3)CC2)c(C)c1C
InChIInChI=1S/C27H36N2O4S/c1-17-18(2)20(4)27(21(5)19(17)3)34(32,33)29-14-12-28(13-15-29)26(31)16-25(22-6-7-22)23-8-10-24(30)11-9-23/h8-11,22,25,30H,6-7,12-16H2,1-5H3
InChIKeyWYXZDWGPFYZQDP-UHFFFAOYSA-N
XLogP4.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-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

1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9221068
3-(2-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27796787
1-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dicyclopropylpropan-1-one
CID 48571952
[(1S,2R)-2-methylcyclopropyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27796780
2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide
CID 27796788
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
CID 110673883
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
(3R)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 7921552
3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417224

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 154877748) is 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one is Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(c3ccc(O)cc3)C3CC3)CC2)c(C)c1C.
What is the InChIKey of 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is WYXZDWGPFYZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-17-18(2)20(4)27(21(5)19(17)3)34(32,33)29-14-12-28(13-15-29)26(31)16-25(22-6-7-22)23-8-10-24(30)11-9-23/h8-11,22,25,30H,6-7,12-16H2,1-5H3.
What are the key properties of 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 484.66 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 154877748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).