5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide

C18H16N2O4 — CID 1130012

IUPAC5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)o1
InChIInChI=1S/C18H16N2O4/c1-11-3-9-15(23-11)17(21)19-13-5-7-14(8-6-13)20-18(22)16-10-4-12(2)24-16/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWJSYEJCHQYSPSN-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.99
Rot. Bonds4

About 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide

5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1130012) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
PubChem CID1130012
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)o1
InChIInChI=1S/C18H16N2O4/c1-11-3-9-15(23-11)17(21)19-13-5-7-14(8-6-13)20-18(22)16-10-4-12(2)24-16/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWJSYEJCHQYSPSN-UHFFFAOYSA-N
XLogP3.99
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide (CID 1130012) is 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)o1.
What is the InChIKey of 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is WJSYEJCHQYSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-3-9-15(23-11)17(21)19-13-5-7-14(8-6-13)20-18(22)16-10-4-12(2)24-16/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide?
5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1130012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).