N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide

C58H72Cl4N4O6S2 — CID 157443905

IUPACN-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide
SMILESC=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)[C@@H](C)NS(=O)(=O)C2CC2)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)[C@H](C)NS(=O)(=O)C2CC2)C1=O
InChIInChI=1S/2C29H36Cl2N2O3S/c2*1-5-16-29(4)18-25(21-8-7-9-23(31)17-21)27(20-10-12-22(30)13-11-20)33(28(29)34)26(6-2)19(3)32-37(35,36)24-14-15-24/h2*5,7-13,17,19,24-27,32H,1,6,14-16,18H2,2-4H3/t19-,25+,26-,27+,29-;19-,25-,26+,27-,29+/m01/s1
InChIKeyBRZOOZUPPXUNQD-MITOTNOTSA-N
MW1127.18 g/mol
LogP13.76
Rot. Bonds20

About N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide

N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide (PubChem CID 157443905) has the molecular formula C58H72Cl4N4O6S2 and a molecular weight of 1127.18 g/mol. Its IUPAC name is N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide
PubChem CID157443905
Molecular FormulaC58H72Cl4N4O6S2
Molecular Weight1127.18 g/mol
Exact Mass1124.36
IUPAC NameN-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide
SMILESC=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)[C@@H](C)NS(=O)(=O)C2CC2)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)[C@H](C)NS(=O)(=O)C2CC2)C1=O
InChIInChI=1S/2C29H36Cl2N2O3S/c2*1-5-16-29(4)18-25(21-8-7-9-23(31)17-21)27(20-10-12-22(30)13-11-20)33(28(29)34)26(6-2)19(3)32-37(35,36)24-14-15-24/h2*5,7-13,17,19,24-27,32H,1,6,14-16,18H2,2-4H3/t19-,25+,26-,27+,29-;19-,25-,26+,27-,29+/m01/s1
InChIKeyBRZOOZUPPXUNQD-MITOTNOTSA-N
XLogP13.76
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.18
LogP ≤ 513.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide (CID 157443905) is N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide is C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)[C@@H](C)NS(=O)(=O)C2CC2)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)[C@H](C)NS(=O)(=O)C2CC2)C1=O.
What is the InChIKey of N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide?
The InChIKey is BRZOOZUPPXUNQD-MITOTNOTSA-N. The full InChI is InChI=1S/2C29H36Cl2N2O3S/c2*1-5-16-29(4)18-25(21-8-7-9-23(31)17-21)27(20-10-12-22(30)13-11-20)33(28(29)34)26(6-2)19(3)32-37(35,36)24-14-15-24/h2*5,7-13,17,19,24-27,32H,1,6,14-16,18H2,2-4H3/t19-,25+,26-,27+,29-;19-,25-,26+,27-,29+/m01/s1.
What are the key properties of N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide?
N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide has a molecular weight of 1127.18 g/mol, XLogP of 13.76, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide;N-[(2S,3S)-3-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]pentan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 157443905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).