N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide

C10H11F3N2O2S — CID 78802914

IUPACN-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)6-15-8(16)1-3-14-9(17)7-2-4-18-5-7/h2,4-5H,1,3,6H2,(H,14,17)(H,15,16)
InChIKeyXZJXQGPAGOGBQK-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.55
Rot. Bonds5

About N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide

N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide (PubChem CID 78802914) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide
PubChem CID78802914
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC NameN-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)6-15-8(16)1-3-14-9(17)7-2-4-18-5-7/h2,4-5H,1,3,6H2,(H,14,17)(H,15,16)
InChIKeyXZJXQGPAGOGBQK-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide (CID 78802914) is N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCC(F)(F)F.
What is the InChIKey of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide?
The InChIKey is XZJXQGPAGOGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)6-15-8(16)1-3-14-9(17)7-2-4-18-5-7/h2,4-5H,1,3,6H2,(H,14,17)(H,15,16).
What are the key properties of N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide?
N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 78802914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).