3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid

C11H16N2O5S2 — CID 6502965

IUPAC3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid
SMILESCCNC(=O)c1cc(S(=O)(=O)NCCC(=O)O)c(C)s1
InChIInChI=1S/C11H16N2O5S2/c1-3-12-11(16)8-6-9(7(2)19-8)20(17,18)13-5-4-10(14)15/h6,13H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGIYUNJAIGSJXKF-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.56
Rot. Bonds7

About 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid

3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid (PubChem CID 6502965) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid
PubChem CID6502965
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid
SMILESCCNC(=O)c1cc(S(=O)(=O)NCCC(=O)O)c(C)s1
InChIInChI=1S/C11H16N2O5S2/c1-3-12-11(16)8-6-9(7(2)19-8)20(17,18)13-5-4-10(14)15/h6,13H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGIYUNJAIGSJXKF-UHFFFAOYSA-N
XLogP0.56
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid?
The IUPAC name of 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid (CID 6502965) is 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid?
The canonical SMILES for 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid is CCNC(=O)c1cc(S(=O)(=O)NCCC(=O)O)c(C)s1.
What is the InChIKey of 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid?
The InChIKey is GIYUNJAIGSJXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-3-12-11(16)8-6-9(7(2)19-8)20(17,18)13-5-4-10(14)15/h6,13H,3-5H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid?
3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid is sourced from PubChem (CID 6502965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).