N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide

C22H24FN3O4S — CID 58256852

IUPACN-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(-c2ccccn2)s1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21
InChIInChI=1S/C22H24FN3O4S/c1-12(2)9-15(22(29)26-10-13(23)20-19(26)16(27)11-30-20)25-21(28)18-7-6-17(31-18)14-5-3-4-8-24-14/h3-8,12-13,15,19-20H,9-11H2,1-2H3,(H,25,28)/t13-,15-,19+,20+/m0/s1
InChIKeyHWOVVNJBOWPPNU-DZXDFRQDSA-N
MW445.52 g/mol
LogP2.47
Rot. Bonds6

About N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide

N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 58256852) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID58256852
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC NameN-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(-c2ccccn2)s1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21
InChIInChI=1S/C22H24FN3O4S/c1-12(2)9-15(22(29)26-10-13(23)20-19(26)16(27)11-30-20)25-21(28)18-7-6-17(31-18)14-5-3-4-8-24-14/h3-8,12-13,15,19-20H,9-11H2,1-2H3,(H,25,28)/t13-,15-,19+,20+/m0/s1
InChIKeyHWOVVNJBOWPPNU-DZXDFRQDSA-N
XLogP2.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[2-[(1S)-1-(methylamino)ethyl]-4,5-dihydro-1,3-thiazol-5-yl]benzamide
CID 70332908
N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-(1-morpholin-4-ylethyl)thiophen-2-yl]benzamide
CID 58256897
N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide
CID 159347196
(3aS,6S,6aS)-6-fluoro-4-[(2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino]pentanoyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
CID 15952645
N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 90917886
N-[(2S)-1-[(3aS,6R,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 68512385
N-[(2S)-1-[(3aR,6aS)-4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 58640279
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-6-phenylpyridine-3-carboxamide
CID 69050177
N-[(1S)-2-[(3aS,6R,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(4-methylcyclohexyl)-2-oxoethyl]benzamide
CID 140677222
N-[(2S)-1-[(3aS)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(dimethylamino)benzamide;ethene
CID 143391145
N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide
CID 123326902
N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-4-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 68889958

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 58256852) is N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(-c2ccccn2)s1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21.
What is the InChIKey of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is HWOVVNJBOWPPNU-DZXDFRQDSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-12(2)9-15(22(29)26-10-13(23)20-19(26)16(27)11-30-20)25-21(28)18-7-6-17(31-18)14-5-3-4-8-24-14/h3-8,12-13,15,19-20H,9-11H2,1-2H3,(H,25,28)/t13-,15-,19+,20+/m0/s1.
What are the key properties of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 58256852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).