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

C22H26N2O8S — CID 55936701

IUPACmethyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O8S/c1-15(24-33(28,29)18-11-9-17(30-2)10-12-18)21(26)32-14-20(25)23-19(22(27)31-3)13-16-7-5-4-6-8-16/h4-12,15,19,24H,13-14H2,1-3H3,(H,23,25)/t15-,19?/m0/s1
InChIKeyAXGSQHCSFIQILQ-FUKCDUGKSA-N
MW478.52 g/mol
LogP0.81
Rot. Bonds11

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

methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate (PubChem CID 55936701) has the molecular formula C22H26N2O8S and a molecular weight of 478.52 g/mol. Its IUPAC name is methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
PubChem CID55936701
Molecular FormulaC22H26N2O8S
Molecular Weight478.52 g/mol
Exact Mass478.14
IUPAC Namemethyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O8S/c1-15(24-33(28,29)18-11-9-17(30-2)10-12-18)21(26)32-14-20(25)23-19(22(27)31-3)13-16-7-5-4-6-8-16/h4-12,15,19,24H,13-14H2,1-3H3,(H,23,25)/t15-,19?/m0/s1
InChIKeyAXGSQHCSFIQILQ-FUKCDUGKSA-N
XLogP0.81
TPSA137.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927410
[2-oxo-2-(4-phenoxyanilino)ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927905
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843274
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928378
methyl (2S)-2-[[(2R)-2-(benzenesulfonamido)-3-hydroxy-3-methylbutanoyl]amino]-3-phenylpropanoate
CID 10972119
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323630

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate (CID 55936701) is methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate?
The InChIKey is AXGSQHCSFIQILQ-FUKCDUGKSA-N. The full InChI is InChI=1S/C22H26N2O8S/c1-15(24-33(28,29)18-11-9-17(30-2)10-12-18)21(26)32-14-20(25)23-19(22(27)31-3)13-16-7-5-4-6-8-16/h4-12,15,19,24H,13-14H2,1-3H3,(H,23,25)/t15-,19?/m0/s1.
What are the key properties of methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate?
methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate has a molecular weight of 478.52 g/mol, XLogP of 0.81, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 55936701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).