3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

C21H17F3N2O5 — CID 41106040

IUPAC3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-13-9-7-12(8-10-13)25-20(28)18-17(14-4-1-2-5-15(14)30-18)26-19(27)16-6-3-11-29-16/h1-2,4-5,7-10,16H,3,6,11H2,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyMMMVBGUKRIYHIB-INIZCTEOSA-N
MW434.37 g/mol
LogP4.70
Rot. Bonds5

About 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 41106040) has the molecular formula C21H17F3N2O5 and a molecular weight of 434.37 g/mol. Its IUPAC name is 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID41106040
Molecular FormulaC21H17F3N2O5
Molecular Weight434.37 g/mol
Exact Mass434.11
IUPAC Name3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C21H17F3N2O5/c22-21(23,24)31-13-9-7-12(8-10-13)25-20(28)18-17(14-4-1-2-5-15(14)30-18)26-19(27)16-6-3-11-29-16/h1-2,4-5,7-10,16H,3,6,11H2,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyMMMVBGUKRIYHIB-INIZCTEOSA-N
XLogP4.70
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
CID 7200167
3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817556
3-[(3-bromobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817560
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
(3R)-N-[2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 35043971
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7957155
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160097

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 41106040) is 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is MMMVBGUKRIYHIB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H17F3N2O5/c22-21(23,24)31-13-9-7-12(8-10-13)25-20(28)18-17(14-4-1-2-5-15(14)30-18)26-19(27)16-6-3-11-29-16/h1-2,4-5,7-10,16H,3,6,11H2,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxolane-2-carbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41106040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).