N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide

C17H26N2O3S — CID 124778191

IUPACN-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C17H26N2O3S/c1-5-23(21,22)18(4)12-17(20)19-13(2)11-16(14(19)3)15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyUZYLKKACHYMXBJ-IIAWOOMASA-N
MW338.47 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide

N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide (PubChem CID 124778191) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide
PubChem CID124778191
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C17H26N2O3S/c1-5-23(21,22)18(4)12-17(20)19-13(2)11-16(14(19)3)15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyUZYLKKACHYMXBJ-IIAWOOMASA-N
XLogP2.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide?
The IUPAC name of N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide (CID 124778191) is N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide?
The InChIKey is UZYLKKACHYMXBJ-IIAWOOMASA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-5-23(21,22)18(4)12-17(20)19-13(2)11-16(14(19)3)15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3/t13-,14-,16-/m1/s1.
What are the key properties of N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide?
N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide is sourced from PubChem (CID 124778191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).