N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H20F3N3O4S — CID 55871998

IUPACN-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H20F3N3O4S/c24-23(25,26)16-12-15(27-22(32)18-2-1-10-33-18)3-4-17(16)28-20(30)5-6-21(31)29-9-7-19-14(13-29)8-11-34-19/h1-4,8,10-12H,5-7,9,13H2,(H,27,32)(H,28,30)
InChIKeyPDDLDPNSHDYQQV-UHFFFAOYSA-N
MW491.49 g/mol
LogP4.92
Rot. Bonds6

About N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55871998) has the molecular formula C23H20F3N3O4S and a molecular weight of 491.49 g/mol. Its IUPAC name is N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55871998
Molecular FormulaC23H20F3N3O4S
Molecular Weight491.49 g/mol
Exact Mass491.11
IUPAC NameN-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H20F3N3O4S/c24-23(25,26)16-12-15(27-22(32)18-2-1-10-33-18)3-4-17(16)28-20(30)5-6-21(31)29-9-7-19-14(13-29)8-11-34-19/h1-4,8,10-12H,5-7,9,13H2,(H,27,32)(H,28,30)
InChIKeyPDDLDPNSHDYQQV-UHFFFAOYSA-N
XLogP4.92
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]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-[4-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55538469
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 55881940
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 41214888
N-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062453
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038209
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]butanamide
CID 52694766
N-[4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 38937706
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55871998) is N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is PDDLDPNSHDYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4S/c24-23(25,26)16-12-15(27-22(32)18-2-1-10-33-18)3-4-17(16)28-20(30)5-6-21(31)29-9-7-19-14(13-29)8-11-34-19/h1-4,8,10-12H,5-7,9,13H2,(H,27,32)(H,28,30).
What are the key properties of N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 491.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55871998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).