2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H13F3N2O3S2 — CID 47319723

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S2/c1-2-7-3-4-9(19-7)20(17,18)15-5-8(16)14-6-10(11,12)13/h3-4,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyOXJZXRIBEMCTIF-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.27
Rot. Bonds6

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47319723) has the molecular formula C10H13F3N2O3S2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47319723
Molecular FormulaC10H13F3N2O3S2
Molecular Weight330.35 g/mol
Exact Mass330.03
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S2/c1-2-7-3-4-9(19-7)20(17,18)15-5-8(16)14-6-10(11,12)13/h3-4,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyOXJZXRIBEMCTIF-UHFFFAOYSA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.27
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]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47319723) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OXJZXRIBEMCTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S2/c1-2-7-3-4-9(19-7)20(17,18)15-5-8(16)14-6-10(11,12)13/h3-4,15H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 1.27, 6 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]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47319723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).