ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate

C22H29NO4S — CID 102462805

IUPACethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
SMILESCCC[C@H](C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C22H29NO4S/c1-4-9-19(22(24)27-5-2)16-21(18-10-7-6-8-11-18)23-28(25,26)20-14-12-17(3)13-15-20/h6-8,10-15,19,21,23H,4-5,9,16H2,1-3H3/t19-,21-/m1/s1
InChIKeyHZDGQFBJUJOCJZ-TZIWHRDSSA-N
MW403.54 g/mol
LogP4.38
Rot. Bonds10

About ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate

ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate (PubChem CID 102462805) has the molecular formula C22H29NO4S and a molecular weight of 403.54 g/mol. Its IUPAC name is ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
PubChem CID102462805
Molecular FormulaC22H29NO4S
Molecular Weight403.54 g/mol
Exact Mass403.18
IUPAC Nameethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
SMILESCCC[C@H](C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C22H29NO4S/c1-4-9-19(22(24)27-5-2)16-21(18-10-7-6-8-11-18)23-28(25,26)20-14-12-17(3)13-15-20/h6-8,10-15,19,21,23H,4-5,9,16H2,1-3H3/t19-,21-/m1/s1
InChIKeyHZDGQFBJUJOCJZ-TZIWHRDSSA-N
XLogP4.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-4,4-dimethyl-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462808
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765
[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate
CID 4843468
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate?
The IUPAC name of ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate (CID 102462805) is ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate.
What is the SMILES notation for ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate?
The canonical SMILES for ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate is CCC[C@H](C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate?
The InChIKey is HZDGQFBJUJOCJZ-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H29NO4S/c1-4-9-19(22(24)27-5-2)16-21(18-10-7-6-8-11-18)23-28(25,26)20-14-12-17(3)13-15-20/h6-8,10-15,19,21,23H,4-5,9,16H2,1-3H3/t19-,21-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate?
ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate has a molecular weight of 403.54 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate is sourced from PubChem (CID 102462805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).