2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid

C10H15NO4S2 — CID 54947369

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)s1
InChIInChI=1S/C10H15NO4S2/c1-4-7-5-6-8(16-7)17(14,15)11-10(2,3)9(12)13/h5-6,11H,4H2,1-3H3,(H,12,13)
InChIKeyXOSIGNQWZVTMPP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid

2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 54947369) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID54947369
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)s1
InChIInChI=1S/C10H15NO4S2/c1-4-7-5-6-8(16-7)17(14,15)11-10(2,3)9(12)13/h5-6,11H,4H2,1-3H3,(H,12,13)
InChIKeyXOSIGNQWZVTMPP-UHFFFAOYSA-N
XLogP1.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid (CID 54947369) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid is CCc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is XOSIGNQWZVTMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-4-7-5-6-8(16-7)17(14,15)11-10(2,3)9(12)13/h5-6,11H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 54947369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).