N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C30H22N2O3S — CID 19460996

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19460996) has the molecular formula C30H22N2O3S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19460996
• Molecular Formula: C30H22N2O3S
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.14
• IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(COc5ccc6ccccc6c5)o4)cc3)sc2c1
• InChI: InChI=1S/C30H22N2O3S/c1-19-6-14-26-28(16-19)36-30(32-26)21-7-10-23(11-8-21)31-29(33)27-15-13-25(35-27)18-34-24-12-9-20-4-2-3-5-22(20)17-24/h2-17H,18H2,1H3,(H,31,33)
• InChIKey: YQWRVQBNTMMFIB-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19460996) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(COc5ccc6ccccc6c5)o4)cc3)sc2c1.

What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The InChIKey is YQWRVQBNTMMFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3S/c1-19-6-14-26-28(16-19)36-30(32-26)21-7-10-23(11-8-21)31-29(33)27-15-13-25(35-27)18-34-24-12-9-20-4-2-3-5-22(20)17-24/h2-17H,18H2,1H3,(H,31,33).

What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 7.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19460996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).