(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid

C22H20N2O7S — CID 68771863

IUPAC(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O7S/c25-14-19(22(27)28)23-21(26)15-10-12-17(13-11-15)32(29,30)24-18-8-4-5-9-20(18)31-16-6-2-1-3-7-16/h1-13,19,24-25H,14H2,(H,23,26)(H,27,28)/t19-/m1/s1
InChIKeyDPIRARSIHMHGHJ-LJQANCHMSA-N
MW456.48 g/mol
LogP2.45
Rot. Bonds9

About (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid (PubChem CID 68771863) has the molecular formula C22H20N2O7S and a molecular weight of 456.48 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid
PubChem CID68771863
Molecular FormulaC22H20N2O7S
Molecular Weight456.48 g/mol
Exact Mass456.10
IUPAC Name(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O7S/c25-14-19(22(27)28)23-21(26)15-10-12-17(13-11-15)32(29,30)24-18-8-4-5-9-20(18)31-16-6-2-1-3-7-16/h1-13,19,24-25H,14H2,(H,23,26)(H,27,28)/t19-/m1/s1
InChIKeyDPIRARSIHMHGHJ-LJQANCHMSA-N
XLogP2.45
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
CID 31475850
methyl (2R)-3-(4-hydroxyphenyl)-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 68770019
2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
CID 68577142
N-[(2S)-6-amino-1-oxo-1-(piperidin-4-ylmethylamino)hexan-2-yl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 87472420
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
(2S)-2-[[2-(benzenesulfonamido)-5-chlorobenzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid
CID 58717528
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid (CID 68771863) is (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid is O=C(N[C@H](CO)C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
The InChIKey is DPIRARSIHMHGHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N2O7S/c25-14-19(22(27)28)23-21(26)15-10-12-17(13-11-15)32(29,30)24-18-8-4-5-9-20(18)31-16-6-2-1-3-7-16/h1-13,19,24-25H,14H2,(H,23,26)(H,27,28)/t19-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid has a molecular weight of 456.48 g/mol, XLogP of 2.45, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 68771863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).