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

C19H22N2O5S — CID 2537053

IUPACmethyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H22N2O5S/c1-21(2)27(24,25)16-11-7-10-15(13-16)18(22)20-17(19(23)26-3)12-14-8-5-4-6-9-14/h4-11,13,17H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyVMZIUDKCWXOFHB-QGZVFWFLSA-N
MW390.46 g/mol
LogP1.45
Rot. Bonds7

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

methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate (PubChem CID 2537053) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
PubChem CID2537053
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H22N2O5S/c1-21(2)27(24,25)16-11-7-10-15(13-16)18(22)20-17(19(23)26-3)12-14-8-5-4-6-9-14/h4-11,13,17H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyVMZIUDKCWXOFHB-QGZVFWFLSA-N
XLogP1.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8010917
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methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
CID 25342310
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
methyl 2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]-3-phenylpropanoate
CID 42946802
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate (CID 2537053) is methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is VMZIUDKCWXOFHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-21(2)27(24,25)16-11-7-10-15(13-16)18(22)20-17(19(23)26-3)12-14-8-5-4-6-9-14/h4-11,13,17H,12H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 390.46 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 2537053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).