N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C21H22N2O2S2 — CID 60576025

About N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 60576025) has the molecular formula C21H22N2O2S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
• PubChem CID: 60576025
• Molecular Formula: C21H22N2O2S2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.11
• IUPAC Name: N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
• SMILES: Cc1nc(CSc2ccc(C(=O)N(C3CC3)C(C)c3ccco3)cc2)cs1
• InChI: InChI=1S/C21H22N2O2S2/c1-14(20-4-3-11-25-20)23(18-7-8-18)21(24)16-5-9-19(10-6-16)27-13-17-12-26-15(2)22-17/h3-6,9-12,14,18H,7-8,13H2,1-2H3
• InChIKey: QDBDSPAPAWNVFG-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 46.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?

The IUPAC name of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 60576025) is N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

What is the SMILES notation for N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?

The canonical SMILES for N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is Cc1nc(CSc2ccc(C(=O)N(C3CC3)C(C)c3ccco3)cc2)cs1.

What is the InChIKey of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?

The InChIKey is QDBDSPAPAWNVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S2/c1-14(20-4-3-11-25-20)23(18-7-8-18)21(24)16-5-9-19(10-6-16)27-13-17-12-26-15(2)22-17/h3-6,9-12,14,18H,7-8,13H2,1-2H3.

What are the key properties of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?

N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 398.55 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 60576025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).