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

C22H25N3O4S — CID 69375247

IUPAC4-(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
SMILESCN(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3OCC(=O)C32)cc1
InChIInChI=1S/C22H25N3O4S/c1-24(2)15-7-5-14(6-8-15)21(27)23-17(12-16-4-3-11-30-16)22(28)25-10-9-19-20(25)18(26)13-29-19/h3-8,11,17,19-20H,9-10,12-13H2,1-2H3,(H,23,27)
InChIKeyYINHRCNPKPMLBN-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.72
Rot. Bonds6

About 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

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 (PubChem CID 69375247) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID69375247
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name4-(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
SMILESCN(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3OCC(=O)C32)cc1
InChIInChI=1S/C22H25N3O4S/c1-24(2)15-7-5-14(6-8-15)21(27)23-17(12-16-4-3-11-30-16)22(28)25-10-9-19-20(25)18(26)13-29-19/h3-8,11,17,19-20H,9-10,12-13H2,1-2H3,(H,23,27)
InChIKeyYINHRCNPKPMLBN-UHFFFAOYSA-N
XLogP1.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3OCC(=O)C32)cc1.
What is the InChIKey of 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?
The InChIKey is YINHRCNPKPMLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-24(2)15-7-5-14(6-8-15)21(27)23-17(12-16-4-3-11-30-16)22(28)25-10-9-19-20(25)18(26)13-29-19/h3-8,11,17,19-20H,9-10,12-13H2,1-2H3,(H,23,27).
What are the key properties of 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?
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 has a molecular weight of 427.53 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69375247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).