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

C25H23N3O4S — CID 91130262

IUPACN-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C25H23N3O4S/c29-19-15-32-20-10-12-28(23(19)20)25(31)18(13-16-5-2-1-3-6-16)27-24(30)22-9-8-21(33-22)17-7-4-11-26-14-17/h1-9,11,14,18,20,23H,10,12-13,15H2,(H,27,30)
InChIKeyNGNFRBCDBGAFTM-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.72
Rot. Bonds6

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

N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 91130262) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
PubChem CID91130262
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC NameN-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C25H23N3O4S/c29-19-15-32-20-10-12-28(23(19)20)25(31)18(13-16-5-2-1-3-6-16)27-24(30)22-9-8-21(33-22)17-7-4-11-26-14-17/h1-9,11,14,18,20,23H,10,12-13,15H2,(H,27,30)
InChIKeyNGNFRBCDBGAFTM-UHFFFAOYSA-N
XLogP2.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide (CID 91130262) is N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-c2cccnc2)s1.
What is the InChIKey of N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is NGNFRBCDBGAFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c29-19-15-32-20-10-12-28(23(19)20)25(31)18(13-16-5-2-1-3-6-16)27-24(30)22-9-8-21(33-22)17-7-4-11-26-14-17/h1-9,11,14,18,20,23H,10,12-13,15H2,(H,27,30).
What are the key properties of N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 2.72, 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)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 91130262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).