(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate

C16H16NO6S- — CID 7045621

IUPAC(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C16H17NO6S/c1-11(16(18)19)17-24(20,21)13-9-7-12(8-10-13)23-15-6-4-3-5-14(15)22-2/h3-11,17H,1-2H3,(H,18,19)/p-1/t11-/m1/s1
InChIKeyQUWHLOBHPRYVHJ-LLVKDONJSA-M
MW350.37 g/mol
LogP0.90
Rot. Bonds7

About (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate

(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate (PubChem CID 7045621) has the molecular formula C16H16NO6S- and a molecular weight of 350.37 g/mol. Its IUPAC name is (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Name(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate
PubChem CID7045621
Molecular FormulaC16H16NO6S-
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C16H17NO6S/c1-11(16(18)19)17-24(20,21)13-9-7-12(8-10-13)23-15-6-4-3-5-14(15)22-2/h3-11,17H,1-2H3,(H,18,19)/p-1/t11-/m1/s1
InChIKeyQUWHLOBHPRYVHJ-LLVKDONJSA-M
XLogP0.90
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
CID 4124714
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 44669136
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2R)-3-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]butanoic acid
CID 93216961
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 42463282
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate?
The IUPAC name of (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate (CID 7045621) is (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate.
What is the SMILES notation for (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate?
The canonical SMILES for (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate is COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate?
The InChIKey is QUWHLOBHPRYVHJ-LLVKDONJSA-M. The full InChI is InChI=1S/C16H17NO6S/c1-11(16(18)19)17-24(20,21)13-9-7-12(8-10-13)23-15-6-4-3-5-14(15)22-2/h3-11,17H,1-2H3,(H,18,19)/p-1/t11-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate?
(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate has a molecular weight of 350.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate is sourced from PubChem (CID 7045621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).