ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

C17H23NO4S — CID 11024204

IUPACethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)[C@H](CC1=CCCC1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO4S/c1-3-22-17(19)16(12-14-6-4-5-7-14)18-23(20,21)15-10-8-13(2)9-11-15/h6,8-11,16,18H,3-5,7,12H2,1-2H3/t16-/m0/s1
InChIKeyDHEDOHDSYONONI-INIZCTEOSA-N
MW337.44 g/mol
LogP2.71
Rot. Bonds7

About ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 11024204) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID11024204
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Nameethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)[C@H](CC1=CCCC1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO4S/c1-3-22-17(19)16(12-14-6-4-5-7-14)18-23(20,21)15-10-8-13(2)9-11-15/h6,8-11,16,18H,3-5,7,12H2,1-2H3/t16-/m0/s1
InChIKeyDHEDOHDSYONONI-INIZCTEOSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 102210057
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 3637173
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117
ethyl (2S,3S)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 59033490
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 15533211
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
dimethyl 2-[(4-methylphenyl)sulfonylamino]propanedioate
CID 11141140
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate
CID 101187677
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate (CID 11024204) is ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is CCOC(=O)[C@H](CC1=CCCC1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is DHEDOHDSYONONI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-3-22-17(19)16(12-14-6-4-5-7-14)18-23(20,21)15-10-8-13(2)9-11-15/h6,8-11,16,18H,3-5,7,12H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 337.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 11024204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).