(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide

C20H14F3NO3S — CID 143242984

IUPAC(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide
SMILESC[C@@H](C(=O)/N=c1/ccc(C(F)(F)F)cs1)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C20H14F3NO3S/c1-12(19(26)24-17-8-7-15(11-28-17)20(21,22)23)13-4-2-5-14(10-13)18(25)16-6-3-9-27-16/h2-12H,1H3/b24-17-/t12-/m1/s1
InChIKeySNYQKPRYRCCVFZ-CPYRSNOYSA-N
MW405.40 g/mol
LogP4.82
Rot. Bonds4

About (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide

(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide (PubChem CID 143242984) has the molecular formula C20H14F3NO3S and a molecular weight of 405.40 g/mol. Its IUPAC name is (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide
PubChem CID143242984
Molecular FormulaC20H14F3NO3S
Molecular Weight405.40 g/mol
Exact Mass405.06
IUPAC Name(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide
SMILESC[C@@H](C(=O)/N=c1/ccc(C(F)(F)F)cs1)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C20H14F3NO3S/c1-12(19(26)24-17-8-7-15(11-28-17)20(21,22)23)13-4-2-5-14(10-13)18(25)16-6-3-9-27-16/h2-12H,1H3/b24-17-/t12-/m1/s1
InChIKeySNYQKPRYRCCVFZ-CPYRSNOYSA-N
XLogP4.82
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide 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

2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide
CID 11545704
2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid
CID 67200124
N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide
CID 91293700
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
furan-2-yl-(3-propan-2-yloxyphenyl)methanone
CID 62919464
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51150523
2-[7-(furan-2-carbonyl)-1-benzothiophen-5-yl]propanoic acid
CID 21268545
furan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105099277
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide?
The IUPAC name of (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide (CID 143242984) is (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide.
What is the SMILES notation for (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide?
The canonical SMILES for (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide is C[C@@H](C(=O)/N=c1/ccc(C(F)(F)F)cs1)c1cccc(C(=O)c2ccco2)c1.
What is the InChIKey of (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide?
The InChIKey is SNYQKPRYRCCVFZ-CPYRSNOYSA-N. The full InChI is InChI=1S/C20H14F3NO3S/c1-12(19(26)24-17-8-7-15(11-28-17)20(21,22)23)13-4-2-5-14(10-13)18(25)16-6-3-9-27-16/h2-12H,1H3/b24-17-/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide?
(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide has a molecular weight of 405.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide is sourced from PubChem (CID 143242984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).