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

C24H24N2O3S — CID 1200833

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

5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide (PubChem CID 1200833) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide
• PubChem CID: 1200833
• Molecular Formula: C24H24N2O3S
• Molecular Weight: 420.53 g/mol
• Exact Mass: 420.15
• IUPAC Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide
• SMILES: Cc1cccc2oc(SCc3ccc(C(=O)N[C@H](C)CCc4ccccc4)o3)nc12
• InChI: InChI=1S/C24H24N2O3S/c1-16-7-6-10-20-22(16)26-24(29-20)30-15-19-13-14-21(28-19)23(27)25-17(2)11-12-18-8-4-3-5-9-18/h3-10,13-14,17H,11-12,15H2,1-2H3,(H,25,27)/t17-/m1/s1
• InChIKey: WCHANNPPTFYIRA-QGZVFWFLSA-N
• XLogP: 5.77
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.53
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide (CID 1200833) is 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide is Cc1cccc2oc(SCc3ccc(C(=O)N[C@H](C)CCc4ccccc4)o3)nc12.

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

The InChIKey is WCHANNPPTFYIRA-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-16-7-6-10-20-22(16)26-24(29-20)30-15-19-13-14-21(28-19)23(27)25-17(2)11-12-18-8-4-3-5-9-18/h3-10,13-14,17H,11-12,15H2,1-2H3,(H,25,27)/t17-/m1/s1.

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

5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1200833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).