7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide

C20H14BrNO4S — CID 35345694

IUPAC7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H14BrNO4S/c21-13-5-6-16-17(23)10-19(26-18(16)9-13)20(24)22(11-14-3-1-7-25-14)12-15-4-2-8-27-15/h1-10H,11-12H2
InChIKeyCYKTUDLURNQKKQ-UHFFFAOYSA-N
MW444.31 g/mol
LogP5.05
Rot. Bonds5

About 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide

7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide (PubChem CID 35345694) has the molecular formula C20H14BrNO4S and a molecular weight of 444.31 g/mol. Its IUPAC name is 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
PubChem CID35345694
Molecular FormulaC20H14BrNO4S
Molecular Weight444.31 g/mol
Exact Mass442.98
IUPAC Name7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H14BrNO4S/c21-13-5-6-16-17(23)10-19(26-18(16)9-13)20(24)22(11-14-3-1-7-25-14)12-15-4-2-8-27-15/h1-10H,11-12H2
InChIKeyCYKTUDLURNQKKQ-UHFFFAOYSA-N
XLogP5.05
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.31
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide
CID 35341214
6-ethyl-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35181644
N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 35341301
5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 31834551
N-(furan-3-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 90582947
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 8894977
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The IUPAC name of 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide (CID 35345694) is 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The canonical SMILES for 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide is O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
The InChIKey is CYKTUDLURNQKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO4S/c21-13-5-6-16-17(23)10-19(26-18(16)9-13)20(24)22(11-14-3-1-7-25-14)12-15-4-2-8-27-15/h1-10H,11-12H2.
What are the key properties of 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide?
7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide has a molecular weight of 444.31 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide is sourced from PubChem (CID 35345694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).