N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C20H14F2N4O4S — CID 95100433

IUPACN-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C20H14F2N4O4S/c1-10(23-19(28)15-3-2-7-29-15)18(27)24-14-6-8-31-16(14)20-25-17(26-30-20)11-4-5-12(21)13(22)9-11/h2-10H,1H3,(H,23,28)(H,24,27)/t10-/m1/s1
InChIKeyWLSROSZWQNSRBE-SNVBAGLBSA-N
MW444.42 g/mol
LogP4.09
Rot. Bonds6

About N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 95100433) has the molecular formula C20H14F2N4O4S and a molecular weight of 444.42 g/mol. Its IUPAC name is N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID95100433
Molecular FormulaC20H14F2N4O4S
Molecular Weight444.42 g/mol
Exact Mass444.07
IUPAC NameN-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C20H14F2N4O4S/c1-10(23-19(28)15-3-2-7-29-15)18(27)24-14-6-8-31-16(14)20-25-17(26-30-20)11-4-5-12(21)13(22)9-11/h2-10H,1H3,(H,23,28)(H,24,27)/t10-/m1/s1
InChIKeyWLSROSZWQNSRBE-SNVBAGLBSA-N
XLogP4.09
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]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-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 53163802
N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 53163789
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
4-fluoro-N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163882
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7891674
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
CID 90607912
2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 112768087
N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 95100433) is N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is WLSROSZWQNSRBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H14F2N4O4S/c1-10(23-19(28)15-3-2-7-29-15)18(27)24-14-6-8-31-16(14)20-25-17(26-30-20)11-4-5-12(21)13(22)9-11/h2-10H,1H3,(H,23,28)(H,24,27)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 95100433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).