N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C18H13F3N2O4S — CID 33373925

IUPACN-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)s1)c1ccco1
InChIInChI=1S/C18H13F3N2O4S/c19-18(20,21)10-27-12-5-2-1-4-11(12)22-17(25)14-7-8-15(28-14)23-16(24)13-6-3-9-26-13/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyBJEWFHSJZOEPLF-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.79
Rot. Bonds6

About N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 33373925) has the molecular formula C18H13F3N2O4S and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID33373925
Molecular FormulaC18H13F3N2O4S
Molecular Weight410.37 g/mol
Exact Mass410.05
IUPAC NameN-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)s1)c1ccco1
InChIInChI=1S/C18H13F3N2O4S/c19-18(20,21)10-27-12-5-2-1-4-11(12)22-17(25)14-7-8-15(28-14)23-16(24)13-6-3-9-26-13/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyBJEWFHSJZOEPLF-UHFFFAOYSA-N
XLogP4.79
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[5-[[2-(methylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34756176
N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302478
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 52662597
N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86835443
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330523

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 33373925) is N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)s1)c1ccco1.
What is the InChIKey of N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is BJEWFHSJZOEPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4S/c19-18(20,21)10-27-12-5-2-1-4-11(12)22-17(25)14-7-8-15(28-14)23-16(24)13-6-3-9-26-13/h1-9H,10H2,(H,22,25)(H,23,24).
What are the key properties of N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 33373925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).