(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid

C26H24N2O6S — CID 155531206

IUPAC(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3ccc(O)cc3)C(=O)O)c3ccccc23)cc1
InChIInChI=1S/C26H24N2O6S/c1-34-19-10-12-20(13-11-19)35(32,33)28-24-15-14-23(21-4-2-3-5-22(21)24)27-25(26(30)31)16-17-6-8-18(29)9-7-17/h2-15,25,27-29H,16H2,1H3,(H,30,31)/t25-/m0/s1
InChIKeyOBJQDSKJODWDEL-VWLOTQADSA-N
MW492.55 g/mol
LogP4.46
Rot. Bonds9

About (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid

(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid (PubChem CID 155531206) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid
PubChem CID155531206
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3ccc(O)cc3)C(=O)O)c3ccccc23)cc1
InChIInChI=1S/C26H24N2O6S/c1-34-19-10-12-20(13-11-19)35(32,33)28-24-15-14-23(21-4-2-3-5-22(21)24)27-25(26(30)31)16-17-6-8-18(29)9-7-17/h2-15,25,27-29H,16H2,1H3,(H,30,31)/t25-/m0/s1
InChIKeyOBJQDSKJODWDEL-VWLOTQADSA-N
XLogP4.46
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid with MolForge

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Related Compounds

methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl (2R)-3-(4-hydroxyphenyl)-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 68770019
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetic acid
CID 77461035
4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide
CID 139559717
4-hydroxy-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294835
2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
(3S)-3-[(4-chlorophenyl)methyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]butanoic acid
CID 151455442
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide
CID 15453074
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide
CID 177380626

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid?
The IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid (CID 155531206) is (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid?
The canonical SMILES for (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid is COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3ccc(O)cc3)C(=O)O)c3ccccc23)cc1.
What is the InChIKey of (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid?
The InChIKey is OBJQDSKJODWDEL-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-34-19-10-12-20(13-11-19)35(32,33)28-24-15-14-23(21-4-2-3-5-22(21)24)27-25(26(30)31)16-17-6-8-18(29)9-7-17/h2-15,25,27-29H,16H2,1H3,(H,30,31)/t25-/m0/s1.
What are the key properties of (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid?
(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid has a molecular weight of 492.55 g/mol, XLogP of 4.46, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid is sourced from PubChem (CID 155531206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).