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

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

N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide (PubChem CID 88546702) has the molecular formula C29H34Cl2N2O4S and a molecular weight of 577.57 g/mol. Its IUPAC name is N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide.

Molecular Properties

Compound Name	N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide
PubChem CID	88546702
Molecular Formula	C29H34Cl2N2O4S
Molecular Weight	577.57 g/mol
Exact Mass	576.16
IUPAC Name	N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide
SMILES	CC[C@]1(CC=O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C(CNS(=O)(=O)C2CC2)C2CC2)C1=O
InChI	InChI=1S/C29H34Cl2N2O4S/c1-2-29(14-15-34)17-25(21-4-3-5-23(31)16-21)27(20-8-10-22(30)11-9-20)33(28(29)35)26(19-6-7-19)18-32-38(36,37)24-12-13-24/h3-5,8-11,15-16,19,24-27,32H,2,6-7,12-14,17-18H2,1H3/t25-,26?,27-,29+/m1/s1
InChIKey	SWFSIGBJZVRALB-UXKYPMGFSA-N
XLogP	5.90
TPSA	83.55 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	11
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.57
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide (CID 88546702) is N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide.

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

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

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

The InChIKey is SWFSIGBJZVRALB-UXKYPMGFSA-N. The full InChI is InChI=1S/C29H34Cl2N2O4S/c1-2-29(14-15-34)17-25(21-4-3-5-23(31)16-21)27(20-8-10-22(30)11-9-20)33(28(29)35)26(19-6-7-19)18-32-38(36,37)24-12-13-24/h3-5,8-11,15-16,19,24-27,32H,2,6-7,12-14,17-18H2,1H3/t25-,26?,27-,29+/m1/s1.

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

N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide has a molecular weight of 577.57 g/mol, XLogP of 5.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethyl-2-oxo-3-(2-oxoethyl)piperidin-1-yl]-2-cyclopropylethyl]cyclopropanesulfonamide is sourced from PubChem (CID 88546702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).