N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide

C15H13F3N2O3S — CID 134010399

IUPACN-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)9-23-11-5-3-10(4-6-11)20-13(21)8-19-14(22)12-2-1-7-24-12/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyRZVGKLSOOFSXCC-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.06
Rot. Bonds6

About N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide (PubChem CID 134010399) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide
PubChem CID134010399
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)9-23-11-5-3-10(4-6-11)20-13(21)8-19-14(22)12-2-1-7-24-12/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyRZVGKLSOOFSXCC-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066239
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60841072
N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide
CID 78872024
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 166215461
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808095
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide (CID 134010399) is N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide?
The InChIKey is RZVGKLSOOFSXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c16-15(17,18)9-23-11-5-3-10(4-6-11)20-13(21)8-19-14(22)12-2-1-7-24-12/h1-7H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 134010399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).