methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

C17H19NO5S — CID 2496939

IUPACmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-22-14-8-10-15(11-9-14)24(20,21)18-16(17(19)23-2)12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1
InChIKeyGMFVHGJXXRZMLV-INIZCTEOSA-N
MW349.41 g/mol
LogP1.76
Rot. Bonds7

About methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 2496939) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID2496939
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-22-14-8-10-15(11-9-14)24(20,21)18-16(17(19)23-2)12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1
InChIKeyGMFVHGJXXRZMLV-INIZCTEOSA-N
XLogP1.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531
methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 55936701
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890775
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (CID 2496939) is methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is GMFVHGJXXRZMLV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-14-8-10-15(11-9-14)24(20,21)18-16(17(19)23-2)12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 349.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 2496939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).