N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C22H20N2O3S — CID 1200778

About N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 1200778) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• PubChem CID: 1200778
• Molecular Formula: C22H20N2O3S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.12
• IUPAC Name: N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• SMILES: Cc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)c(C)c4)o3)oc2c1
• InChI: InChI=1S/C22H20N2O3S/c1-13-4-8-18-20(10-13)27-22(24-18)28-12-17-7-9-19(26-17)21(25)23-16-6-5-14(2)15(3)11-16/h4-11H,12H2,1-3H3,(H,23,25)
• InChIKey: BJMZZUKVTXYEIS-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The IUPAC name of N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 1200778) is N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)c(C)c4)o3)oc2c1.

What is the InChIKey of N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The InChIKey is BJMZZUKVTXYEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-13-4-8-18-20(10-13)27-22(24-18)28-12-17-7-9-19(26-17)21(25)23-16-6-5-14(2)15(3)11-16/h4-11H,12H2,1-3H3,(H,23,25).

What are the key properties of N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 1200778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).