2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide

C26H26N4O4S — CID 3432953

IUPAC2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(C(N)=O)c1C
InChIInChI=1S/C26H26N4O4S/c1-5-30(6-2)26(33)22-15(4)21(23(27)31)25(35-22)29-24(32)17-13-19(20-12-11-14(3)34-20)28-18-10-8-7-9-16(17)18/h7-13H,5-6H2,1-4H3,(H2,27,31)(H,29,32)
InChIKeyOMSBEWCLPPPUMH-UHFFFAOYSA-N
MW490.59 g/mol
LogP5.01
Rot. Bonds7

About 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide

2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide (PubChem CID 3432953) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide
PubChem CID3432953
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(C(N)=O)c1C
InChIInChI=1S/C26H26N4O4S/c1-5-30(6-2)26(33)22-15(4)21(23(27)31)25(35-22)29-24(32)17-13-19(20-12-11-14(3)34-20)28-18-10-8-7-9-16(17)18/h7-13H,5-6H2,1-4H3,(H2,27,31)(H,29,32)
InChIKeyOMSBEWCLPPPUMH-UHFFFAOYSA-N
XLogP5.01
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide (CID 3432953) is 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide is CCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(C(N)=O)c1C.
What is the InChIKey of 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide?
The InChIKey is OMSBEWCLPPPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-5-30(6-2)26(33)22-15(4)21(23(27)31)25(35-22)29-24(32)17-13-19(20-12-11-14(3)34-20)28-18-10-8-7-9-16(17)18/h7-13H,5-6H2,1-4H3,(H2,27,31)(H,29,32).
What are the key properties of 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide?
2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide has a molecular weight of 490.59 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-3-methyl-5-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 3432953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).