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-(3-fluorophenyl)ethanesulfonamide

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-(3-fluorophenyl)ethanesulfonamide

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-(3-fluorophenyl)ethanesulfonamide (PubChem CID 67998961) has the molecular formula C34H37Cl2FN2O3S and a molecular weight of 643.65 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-(3-fluorophenyl)ethanesulfonamide.

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-(3-fluorophenyl)ethanesulfonamide
PubChem CID	67998961
Molecular Formula	C34H37Cl2FN2O3S
Molecular Weight	643.65 g/mol
Exact Mass	642.19
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-(3-fluorophenyl)ethanesulfonamide
SMILES	C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CN(c2cccc(F)c2)S(=O)(=O)CC)C2CC2)C1=O
InChI	InChI=1S/C34H37Cl2FN2O3S/c1-4-18-34(3)21-30(25-8-6-9-27(36)19-25)32(24-14-16-26(35)17-15-24)39(33(34)40)31(23-12-13-23)22-38(43(41,42)5-2)29-11-7-10-28(37)20-29/h4,6-11,14-17,19-20,23,30-32H,1,5,12-13,18,21-22H2,2-3H3/t30-,31+,32-,34+/m1/s1
InChIKey	QWQMFCYMBINVMC-WRHCQWCJSA-N
XLogP	8.41
TPSA	57.69 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	11
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.65
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

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-(3-fluorophenyl)ethanesulfonamide?

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-(3-fluorophenyl)ethanesulfonamide (CID 67998961) 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-(3-fluorophenyl)ethanesulfonamide.

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-(3-fluorophenyl)ethanesulfonamide?

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-(3-fluorophenyl)ethanesulfonamide is C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CN(c2cccc(F)c2)S(=O)(=O)CC)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-(3-fluorophenyl)ethanesulfonamide?

The InChIKey is QWQMFCYMBINVMC-WRHCQWCJSA-N. The full InChI is InChI=1S/C34H37Cl2FN2O3S/c1-4-18-34(3)21-30(25-8-6-9-27(36)19-25)32(24-14-16-26(35)17-15-24)39(33(34)40)31(23-12-13-23)22-38(43(41,42)5-2)29-11-7-10-28(37)20-29/h4,6-11,14-17,19-20,23,30-32H,1,5,12-13,18,21-22H2,2-3H3/t30-,31+,32-,34+/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-(3-fluorophenyl)ethanesulfonamide?

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-(3-fluorophenyl)ethanesulfonamide has a molecular weight of 643.65 g/mol, XLogP of 8.41, 11 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-(3-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 67998961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).