(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate

C17H18NO6S- — CID 9115181

IUPAC(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
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)/p-1/t14-/m1/s1
InChIKeyRAFXOZPWWMVBIR-CQSZACIVSA-M
MW364.40 g/mol
LogP0.34
Rot. Bonds8

About (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate

(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 9115181) has the molecular formula C17H18NO6S- and a molecular weight of 364.40 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID9115181
Molecular FormulaC17H18NO6S-
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
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)/p-1/t14-/m1/s1
InChIKeyRAFXOZPWWMVBIR-CQSZACIVSA-M
XLogP0.34
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115177
2-[(3-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 4075518
methyl 3-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate
CID 3778391
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 43891365
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 5018434
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
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate (CID 9115181) is (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate is COc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1.
What is the InChIKey of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is RAFXOZPWWMVBIR-CQSZACIVSA-M. 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)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate?
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 364.40 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 9115181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).