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

C30H36Cl2N2O3S — CID 67999585

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

N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide (PubChem CID 67999585) has the molecular formula C30H36Cl2N2O3S and a molecular weight of 575.60 g/mol. Its IUPAC name is N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide
• PubChem CID: 67999585
• Molecular Formula: C30H36Cl2N2O3S
• Molecular Weight: 575.60 g/mol
• Exact Mass: 574.18
• IUPAC Name: N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide
• SMILES: C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CN(C)S(=O)(=O)C2CC2)C2CC2)C1=O
• InChI: InChI=1S/C30H36Cl2N2O3S/c1-4-16-30(2)18-26(22-6-5-7-24(32)17-22)28(21-10-12-23(31)13-11-21)34(29(30)35)27(20-8-9-20)19-33(3)38(36,37)25-14-15-25/h4-7,10-13,17,20,25-28H,1,8-9,14-16,18-19H2,2-3H3/t26-,27+,28-,30+/m1/s1
• InChIKey: GCBNXXJQGATBRH-UONLKORASA-N
• XLogP: 6.84
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.60
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide?

The IUPAC name of N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide (CID 67999585) is N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide.

What is the SMILES notation for N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide?

The canonical SMILES for N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide is C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CN(C)S(=O)(=O)C2CC2)C2CC2)C1=O.

What is the InChIKey of N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide?

The InChIKey is GCBNXXJQGATBRH-UONLKORASA-N. The full InChI is InChI=1S/C30H36Cl2N2O3S/c1-4-16-30(2)18-26(22-6-5-7-24(32)17-22)28(21-10-12-23(31)13-11-21)34(29(30)35)27(20-8-9-20)19-33(3)38(36,37)25-14-15-25/h4-7,10-13,17,20,25-28H,1,8-9,14-16,18-19H2,2-3H3/t26-,27+,28-,30+/m1/s1.

What are the key properties of N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide?

N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide has a molecular weight of 575.60 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 67999585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).