N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide

C22H19F3N2O3S — CID 18904532

IUPACN-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3S/c1-2-19(21(29)27-15-7-3-6-14(12-15)22(23,24)25)31-17-9-4-8-16(13-17)26-20(28)18-10-5-11-30-18/h3-13,19H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyPJFBLDKLTLZQLJ-UHFFFAOYSA-N
MW448.47 g/mol
LogP6.06
Rot. Bonds7

About N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide

N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18904532) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18904532
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC NameN-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3S/c1-2-19(21(29)27-15-7-3-6-14(12-15)22(23,24)25)31-17-9-4-8-16(13-17)26-20(28)18-10-5-11-30-18/h3-13,19H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyPJFBLDKLTLZQLJ-UHFFFAOYSA-N
XLogP6.06
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-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-[3-[1-(3,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904552
N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904539
N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913173
2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 18894310
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[3-[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913175
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913138
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19310637
2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18905971
6-O-tert-butyl 3-O-ethyl 2-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 18910385

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide (CID 18904532) is N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide is CCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is PJFBLDKLTLZQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c1-2-19(21(29)27-15-7-3-6-14(12-15)22(23,24)25)31-17-9-4-8-16(13-17)26-20(28)18-10-5-11-30-18/h3-13,19H,2H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18904532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).