N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C24H22N4O3S — CID 112786027

About N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 112786027) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 112786027
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)C(C)Sc3nnc(-c4ccoc4C)o3)ccc21
• InChI: InChI=1S/C24H22N4O3S/c1-4-28-20-8-6-5-7-18(20)19-13-16(9-10-21(19)28)25-22(29)15(3)32-24-27-26-23(31-24)17-11-12-30-14(17)2/h5-13,15H,4H2,1-3H3,(H,25,29)
• InChIKey: AGBYWQAHGFONAO-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 86.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 112786027) is N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCn1c2ccccc2c2cc(NC(=O)C(C)Sc3nnc(-c4ccoc4C)o3)ccc21.

What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is AGBYWQAHGFONAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-4-28-20-8-6-5-7-18(20)19-13-16(9-10-21(19)28)25-22(29)15(3)32-24-27-26-23(31-24)17-11-12-30-14(17)2/h5-13,15H,4H2,1-3H3,(H,25,29).

What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 446.53 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 112786027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).