[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

C17H21NO5S — CID 8582613

IUPAC[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESC[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H21NO5S/c1-12(23-16(19)11-13-5-3-4-6-13)17(20)14-7-9-15(10-8-14)18-24(2,21)22/h3,5,7-10,12-13,18H,4,6,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyQQKLXNQBOQKACM-OLZOCXBDSA-N
MW351.42 g/mol
LogP2.53
Rot. Bonds7

About [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 8582613) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID8582613
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESC[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H21NO5S/c1-12(23-16(19)11-13-5-3-4-6-13)17(20)14-7-9-15(10-8-14)18-24(2,21)22/h3,5,7-10,12-13,18H,4,6,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyQQKLXNQBOQKACM-OLZOCXBDSA-N
XLogP2.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066053
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 46805687
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 124725281
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98621065
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819650
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55357203
[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065896
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066003
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386201
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 8582613) is [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is C[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is QQKLXNQBOQKACM-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-12(23-16(19)11-13-5-3-4-6-13)17(20)14-7-9-15(10-8-14)18-24(2,21)22/h3,5,7-10,12-13,18H,4,6,11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 351.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 8582613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).