2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H12F3NO4S2 — CID 79793614

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO4S2/c1-3-6-4-5-7(19-6)20(17,18)14-9(2,8(15)16)10(11,12)13/h4-5,14H,3H2,1-2H3,(H,15,16)
InChIKeyLVHPIPNMKXKXPJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.99
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79793614) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79793614
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO4S2/c1-3-6-4-5-7(19-6)20(17,18)14-9(2,8(15)16)10(11,12)13/h4-5,14H,3H2,1-2H3,(H,15,16)
InChIKeyLVHPIPNMKXKXPJ-UHFFFAOYSA-N
XLogP1.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Ethylthiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258727
2-[(2,5-Dimethylthiophen-3-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792042
3,3,3-Trifluoro-2-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 79793518
2-[(5-Bromo-2-methylthiophen-3-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 80225840
2-[5-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106209131
2-[(5-Cyanothiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106265744
4-Methyl-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]pentanoic acid
CID 121778582
3-Methyl-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]butanoic acid
CID 121778585
2-[[5-(Trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778586
3-[[5-(Trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
CID 121778590
4-[[5-(Trifluoromethyl)thiophen-2-yl]sulfonylamino]butanoic acid
CID 121778594
2-[[5-(Trifluoromethyl)thiophen-2-yl]sulfonylamino]hexanoic acid
CID 121778597

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79793614) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid is CCc1ccc(S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is LVHPIPNMKXKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c1-3-6-4-5-7(19-6)20(17,18)14-9(2,8(15)16)10(11,12)13/h4-5,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 331.34 g/mol, XLogP of 1.99, 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]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79793614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).