ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

C20H25NO5S — CID 7045147

IUPACethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(OCC)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-17-10-8-16(9-11-17)19(14-20(22)26-5-2)21-27(23,24)18-12-6-15(3)7-13-18/h6-13,19,21H,4-5,14H2,1-3H3/t19-/m1/s1
InChIKeyZZEOIPUMFIIEON-LJQANCHMSA-N
MW391.49 g/mol
LogP3.37
Rot. Bonds9

About ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 7045147) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID7045147
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Nameethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(OCC)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-17-10-8-16(9-11-17)19(14-20(22)26-5-2)21-27(23,24)18-12-6-15(3)7-13-18/h6-13,19,21H,4-5,14H2,1-3H3/t19-/m1/s1
InChIKeyZZEOIPUMFIIEON-LJQANCHMSA-N
XLogP3.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-3-(4-ethoxyphenyl)-3-[(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 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
ethyl 3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164862354
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943
ethyl (3R)-3-[(2,5-diethoxyphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 41092589
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844788
ethyl (3R)-3-(4-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7044296
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (CID 7045147) is ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(OCC)cc1.
What is the InChIKey of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is ZZEOIPUMFIIEON-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-25-17-10-8-16(9-11-17)19(14-20(22)26-5-2)21-27(23,24)18-12-6-15(3)7-13-18/h6-13,19,21H,4-5,14H2,1-3H3/t19-/m1/s1.
What are the key properties of ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 391.49 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7045147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).