(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid

C17H19NO6S — CID 9115180

IUPAC(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C17H19NO6S/c1-23-13-8-9-15(24-2)16(11-13)25(21,22)18-14(17(19)20)10-12-6-4-3-5-7-12/h3-9,11,14,18H,10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyRAFXOZPWWMVBIR-AWEZNQCLSA-N
MW365.41 g/mol
LogP1.68
Rot. Bonds8

About (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid

(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 9115180) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID9115180
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Name(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C17H19NO6S/c1-23-13-8-9-15(24-2)16(11-13)25(21,22)18-14(17(19)20)10-12-6-4-3-5-7-12/h3-9,11,14,18H,10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyRAFXOZPWWMVBIR-AWEZNQCLSA-N
XLogP1.68
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115181
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
methyl 3-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate
CID 3778391
(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 9403870
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 43891365
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115177
ethyl 3-benzylsulfanyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate
CID 5010520
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 28540088
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 43871101
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid (CID 9115180) is (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid is COc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1.
What is the InChIKey of (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is RAFXOZPWWMVBIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-23-13-8-9-15(24-2)16(11-13)25(21,22)18-14(17(19)20)10-12-6-4-3-5-7-12/h3-9,11,14,18H,10H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid?
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 365.41 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 9115180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).