methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate

C19H22N2O5S — CID 25342310

IUPACmethyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
SMILESCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)c1
InChIInChI=1S/C19H22N2O5S/c1-3-27(24,25)21-16-11-7-10-15(13-16)18(22)20-17(19(23)26-2)12-14-8-5-4-6-9-14/h4-11,13,17,21H,3,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyFZKULYBWVXMVBK-QGZVFWFLSA-N
MW390.46 g/mol
LogP1.96
Rot. Bonds8

About methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate (PubChem CID 25342310) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
PubChem CID25342310
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
SMILESCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)c1
InChIInChI=1S/C19H22N2O5S/c1-3-27(24,25)21-16-11-7-10-15(13-16)18(22)20-17(19(23)26-2)12-14-8-5-4-6-9-14/h4-11,13,17,21H,3,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyFZKULYBWVXMVBK-QGZVFWFLSA-N
XLogP1.96
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl (2S)-2-[[3-(methanesulfonamido)benzoyl]amino]heptanoate
CID 96530024
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate (CID 25342310) is methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate is CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)c1.
What is the InChIKey of methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is FZKULYBWVXMVBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-27(24,25)21-16-11-7-10-15(13-16)18(22)20-17(19(23)26-2)12-14-8-5-4-6-9-14/h4-11,13,17,21H,3,12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 390.46 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 25342310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).