N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide

C22H19NO4S — CID 35341301

IUPACN-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3sccc3C)oc2c1
InChIInChI=1S/C22H19NO4S/c1-14-5-6-17-18(24)11-20(27-19(17)10-14)22(25)23(12-16-4-3-8-26-16)13-21-15(2)7-9-28-21/h3-11H,12-13H2,1-2H3
InChIKeyBKFARVXUYQYMSI-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.91
Rot. Bonds5

About N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide

N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide (PubChem CID 35341301) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
PubChem CID35341301
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC NameN-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3sccc3C)oc2c1
InChIInChI=1S/C22H19NO4S/c1-14-5-6-17-18(24)11-20(27-19(17)10-14)22(25)23(12-16-4-3-8-26-16)13-21-15(2)7-9-28-21/h3-11H,12-13H2,1-2H3
InChIKeyBKFARVXUYQYMSI-UHFFFAOYSA-N
XLogP4.91
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35345694
N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 35342487
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
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35344277
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35338090
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 31834551
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide (CID 35341301) is N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide is Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3sccc3C)oc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
The InChIKey is BKFARVXUYQYMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-14-5-6-17-18(24)11-20(27-19(17)10-14)22(25)23(12-16-4-3-8-26-16)13-21-15(2)7-9-28-21/h3-11H,12-13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide?
N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35341301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).