N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide

C25H22FN3O4S — CID 91487131

IUPACN-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2OCC(=O)C21)c1cc(-c2cccnc2)cs1
InChIInChI=1S/C25H22FN3O4S/c26-18-5-3-15(4-6-18)10-19(25(32)29-9-7-21-23(29)20(30)13-33-21)28-24(31)22-11-17(14-34-22)16-2-1-8-27-12-16/h1-6,8,11-12,14,19,21,23H,7,9-10,13H2,(H,28,31)
InChIKeyYTCZNXZDDKMINQ-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.86
Rot. Bonds6

About N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide

N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 91487131) has the molecular formula C25H22FN3O4S and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide
PubChem CID91487131
Molecular FormulaC25H22FN3O4S
Molecular Weight479.53 g/mol
Exact Mass479.13
IUPAC NameN-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2OCC(=O)C21)c1cc(-c2cccnc2)cs1
InChIInChI=1S/C25H22FN3O4S/c26-18-5-3-15(4-6-18)10-19(25(32)29-9-7-21-23(29)20(30)13-33-21)28-24(31)22-11-17(14-34-22)16-2-1-8-27-12-16/h1-6,8,11-12,14,19,21,23H,7,9-10,13H2,(H,28,31)
InChIKeyYTCZNXZDDKMINQ-UHFFFAOYSA-N
XLogP2.86
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide (CID 91487131) is N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide is O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2OCC(=O)C21)c1cc(-c2cccnc2)cs1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is YTCZNXZDDKMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4S/c26-18-5-3-15(4-6-18)10-19(25(32)29-9-7-21-23(29)20(30)13-33-21)28-24(31)22-11-17(14-34-22)16-2-1-8-27-12-16/h1-6,8,11-12,14,19,21,23H,7,9-10,13H2,(H,28,31).
What are the key properties of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide?
N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 91487131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).