propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate

C20H24N2O5S — CID 71516347

IUPACpropyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate
SMILESCCCOC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-13-27-20(24)15(3)21-19(23)16-7-9-17(10-8-16)22-28(25,26)18-11-5-14(2)6-12-18/h5-12,15,22H,4,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyCQKYOQKSNFPPOA-HNNXBMFYSA-N
MW404.49 g/mol
LogP2.87
Rot. Bonds8

About propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate

propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate (PubChem CID 71516347) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate.

Molecular Properties

Compound Namepropyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate
PubChem CID71516347
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namepropyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate
SMILESCCCOC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-13-27-20(24)15(3)21-19(23)16-7-9-17(10-8-16)22-28(25,26)18-11-5-14(2)6-12-18/h5-12,15,22H,4,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyCQKYOQKSNFPPOA-HNNXBMFYSA-N
XLogP2.87
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate with MolForge

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Related Compounds

N-methoxy-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27745145
methyl (2S)-2-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]propanoate
CID 71516349
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
propyl 2-benzamidopropanoate
CID 71628004
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46819760
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
butyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24670806

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate?
The IUPAC name of propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate (CID 71516347) is propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate.
What is the SMILES notation for propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate?
The canonical SMILES for propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate is CCCOC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate?
The InChIKey is CQKYOQKSNFPPOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-13-27-20(24)15(3)21-19(23)16-7-9-17(10-8-16)22-28(25,26)18-11-5-14(2)6-12-18/h5-12,15,22H,4,13H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate?
propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate has a molecular weight of 404.49 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate is sourced from PubChem (CID 71516347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).