N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide

C30H38Cl2N2O5S — CID 67999001

About N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide

N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide (PubChem CID 67999001) has the molecular formula C30H38Cl2N2O5S and a molecular weight of 609.62 g/mol. Its IUPAC name is N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide
• PubChem CID: 67999001
• Molecular Formula: C30H38Cl2N2O5S
• Molecular Weight: 609.62 g/mol
• Exact Mass: 608.19
• IUPAC Name: N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide
• SMILES: CC[C@]1(CC(O)CO)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)C2CC2)C2CC2)C1=O
• InChI: InChI=1S/C30H38Cl2N2O5S/c1-2-30(15-24(36)18-35)16-26(21-4-3-5-23(32)14-21)28(20-8-10-22(31)11-9-20)34(29(30)37)27(19-6-7-19)17-33-40(38,39)25-12-13-25/h3-5,8-11,14,19,24-28,33,35-36H,2,6-7,12-13,15-18H2,1H3/t24?,26-,27-,28-,30+/m1/s1
• InChIKey: PMXJBYNYFKMRAH-XVEHYJNOSA-N
• XLogP: 5.05
• TPSA: 106.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.62
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide?

The IUPAC name of N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide (CID 67999001) is N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide?

The canonical SMILES for N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide is CC[C@]1(CC(O)CO)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)C2CC2)C2CC2)C1=O.

What is the InChIKey of N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide?

The InChIKey is PMXJBYNYFKMRAH-XVEHYJNOSA-N. The full InChI is InChI=1S/C30H38Cl2N2O5S/c1-2-30(15-24(36)18-35)16-26(21-4-3-5-23(32)14-21)28(20-8-10-22(31)11-9-20)34(29(30)37)27(19-6-7-19)17-33-40(38,39)25-12-13-25/h3-5,8-11,14,19,24-28,33,35-36H,2,6-7,12-13,15-18H2,1H3/t24?,26-,27-,28-,30+/m1/s1.

What are the key properties of N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide?

N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide has a molecular weight of 609.62 g/mol, XLogP of 5.05, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-ethyl-2-oxopiperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide is sourced from PubChem (CID 67999001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).