methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate

C28H35Cl2NO4S — CID 76834547

IUPACmethyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate
SMILESCCC(CS(=O)C(C)C)N1C(=O)C(C)(CC(=O)OC)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H35Cl2NO4S/c1-6-23(17-36(34)18(2)3)31-26(19-10-12-21(29)13-11-19)24(20-8-7-9-22(30)14-20)15-28(4,27(31)33)16-25(32)35-5/h7-14,18,23-24,26H,6,15-17H2,1-5H3
InChIKeyFKCGGEYGCDAUSS-UHFFFAOYSA-N
MW552.56 g/mol
LogP6.56
Rot. Bonds9

About methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate

methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate (PubChem CID 76834547) has the molecular formula C28H35Cl2NO4S and a molecular weight of 552.56 g/mol. Its IUPAC name is methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate
PubChem CID76834547
Molecular FormulaC28H35Cl2NO4S
Molecular Weight552.56 g/mol
Exact Mass551.17
IUPAC Namemethyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate
SMILESCCC(CS(=O)C(C)C)N1C(=O)C(C)(CC(=O)OC)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C28H35Cl2NO4S/c1-6-23(17-36(34)18(2)3)31-26(19-10-12-21(29)13-11-19)24(20-8-7-9-22(30)14-20)15-28(4,27(31)33)16-25(32)35-5/h7-14,18,23-24,26H,6,15-17H2,1-5H3
InChIKeyFKCGGEYGCDAUSS-UHFFFAOYSA-N
XLogP6.56
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.56
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate 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

methyl 2-[(3R,6S)-1-[(2S)-1-aminobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetate
CID 169323092
methyl 2-[1-(1-aminobutan-2-yl)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetate
CID 76834531
methyl 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-[(2S)-1-propan-2-ylsulfanylbutan-2-yl]piperidin-3-yl]acetate
CID 58573604
methyl 2-[(3R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(2-hydroxypentan-3-yl)-3-methyl-2-oxopiperidin-3-yl]acetate
CID 70644701
methyl 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-oxobutan-2-yl)piperidin-3-yl]acetate
CID 88546698
methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-[1-(trifluoromethylsulfonylamino)butan-2-yl]piperidin-3-yl]acetate
CID 77394540
methyl 2-[1-[1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetate
CID 77394636
methyl 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-[(3S)-pent-1-en-3-yl]piperidin-3-yl]acetate
CID 58573617
methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1,2-dihydroxypentan-3-yl)-3-methyl-2-oxopiperidin-3-yl]acetate
CID 76834545
methyl 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-[cyclopropylsulfonyl(methyl)amino]butan-2-yl]-3-methyl-2-oxopiperidin-3-yl]acetate
CID 58573948
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-pentan-3-ylpiperidin-3-yl]acetamide
CID 58573752
2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-pentan-3-ylpiperidin-3-yl]acetohydrazide
CID 67999881

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate (CID 76834547) is methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate is CCC(CS(=O)C(C)C)N1C(=O)C(C)(CC(=O)OC)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate?
The InChIKey is FKCGGEYGCDAUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2NO4S/c1-6-23(17-36(34)18(2)3)31-26(19-10-12-21(29)13-11-19)24(20-8-7-9-22(30)14-20)15-28(4,27(31)33)16-25(32)35-5/h7-14,18,23-24,26H,6,15-17H2,1-5H3.
What are the key properties of methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate?
methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate has a molecular weight of 552.56 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-propan-2-ylsulfinylbutan-2-yl)piperidin-3-yl]acetate is sourced from PubChem (CID 76834547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).