N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

C21H23N3O4S — CID 69049062

IUPACN-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cncc(-c2cccs2)c1)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C21H23N3O4S/c1-2-4-15(21(27)24-7-6-17-19(24)16(25)12-28-17)23-20(26)14-9-13(10-22-11-14)18-5-3-8-29-18/h3,5,8-11,15,17,19H,2,4,6-7,12H2,1H3,(H,23,26)
InChIKeyQSOPEUWNEOIDTM-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.28
Rot. Bonds6

About N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 69049062) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID69049062
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cncc(-c2cccs2)c1)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C21H23N3O4S/c1-2-4-15(21(27)24-7-6-17-19(24)16(25)12-28-17)23-20(26)14-9-13(10-22-11-14)18-5-3-8-29-18/h3,5,8-11,15,17,19H,2,4,6-7,12H2,1H3,(H,23,26)
InChIKeyQSOPEUWNEOIDTM-UHFFFAOYSA-N
XLogP2.28
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69047909
N-[3-(4-bromophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69049739
N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69049002
N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69051670
4-(dimethylamino)-N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-thiophen-2-ylpropan-2-yl]benzamide
CID 69375247
N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-4-thiophen-2-ylbenzamide
CID 69049075
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 91054975
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-3-bromobenzamide
CID 142154198
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-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 142154220
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 163431387
N-[1-[4-(2-hydroxypentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-thiophen-2-ylbenzamide
CID 68889976

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 69049062) is N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is CCCC(NC(=O)c1cncc(-c2cccs2)c1)C(=O)N1CCC2OCC(=O)C21.
What is the InChIKey of N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is QSOPEUWNEOIDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-2-4-15(21(27)24-7-6-17-19(24)16(25)12-28-17)23-20(26)14-9-13(10-22-11-14)18-5-3-8-29-18/h3,5,8-11,15,17,19H,2,4,6-7,12H2,1H3,(H,23,26).
What are the key properties of N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69049062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).