3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid

C13H14N2O5S2 — CID 154837640

IUPAC3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid
SMILESCOc1cncc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)c1
InChIInChI=1S/C13H14N2O5S2/c1-20-10-4-11(7-14-6-10)22(18,19)15-12(5-13(16)17)9-2-3-21-8-9/h2-4,6-8,12,15H,5H2,1H3,(H,16,17)
InChIKeyLKAFGGLRFOTJBB-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.65
Rot. Bonds7

About 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid

3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid (PubChem CID 154837640) has the molecular formula C13H14N2O5S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid
PubChem CID154837640
Molecular FormulaC13H14N2O5S2
Molecular Weight342.40 g/mol
Exact Mass342.03
IUPAC Name3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid
SMILESCOc1cncc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)c1
InChIInChI=1S/C13H14N2O5S2/c1-20-10-4-11(7-14-6-10)22(18,19)15-12(5-13(16)17)9-2-3-21-8-9/h2-4,6-8,12,15H,5H2,1H3,(H,16,17)
InChIKeyLKAFGGLRFOTJBB-UHFFFAOYSA-N
XLogP1.65
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
CID 105121291
3-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 651622
4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 110222105
3-(3,4-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 45468993
3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid
CID 154839721
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
3-(butoxycarbonylamino)-3-thiophen-3-ylpropanoic acid
CID 69466792
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 1271809
(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide
CID 102109179

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid?
The IUPAC name of 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid (CID 154837640) is 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid is COc1cncc(S(=O)(=O)NC(CC(=O)O)c2ccsc2)c1.
What is the InChIKey of 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid?
The InChIKey is LKAFGGLRFOTJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S2/c1-20-10-4-11(7-14-6-10)22(18,19)15-12(5-13(16)17)9-2-3-21-8-9/h2-4,6-8,12,15H,5H2,1H3,(H,16,17).
What are the key properties of 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid?
3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid has a molecular weight of 342.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-3-pyridinyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 154837640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).