2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid

C11H12F3NO4S2 — CID 136550994

IUPAC2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CCC1)S(=O)(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3NO4S2/c12-11(13,14)8-4-5-10(20-8)21(18,19)15(6-9(16)17)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,16,17)
InChIKeyOBYQKAIVOBBMDQ-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.39
Rot. Bonds5

About 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid

2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid (PubChem CID 136550994) has the molecular formula C11H12F3NO4S2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
PubChem CID136550994
Molecular FormulaC11H12F3NO4S2
Molecular Weight343.35 g/mol
Exact Mass343.02
IUPAC Name2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CCC1)S(=O)(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3NO4S2/c12-11(13,14)8-4-5-10(20-8)21(18,19)15(6-9(16)17)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,16,17)
InChIKeyOBYQKAIVOBBMDQ-UHFFFAOYSA-N
XLogP2.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid (CID 136550994) is 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid is O=C(O)CN(C1CCC1)S(=O)(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid?
The InChIKey is OBYQKAIVOBBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4S2/c12-11(13,14)8-4-5-10(20-8)21(18,19)15(6-9(16)17)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,16,17).
What are the key properties of 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid?
2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid has a molecular weight of 343.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid is sourced from PubChem (CID 136550994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).