N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide

C20H19ClN4O4S — CID 24570788

About N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide

N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide (PubChem CID 24570788) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide
• PubChem CID: 24570788
• Molecular Formula: C20H19ClN4O4S
• Molecular Weight: 446.92 g/mol
• Exact Mass: 446.08
• IUPAC Name: N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)n2)o1
• InChI: InChI=1S/C20H19ClN4O4S/c1-11(23-19(28)14-5-3-4-6-15(14)21)18(27)25-20-24-16(10-30-20)17-8-7-13(29-17)9-22-12(2)26/h3-8,10-11H,9H2,1-2H3,(H,22,26)(H,23,28)(H,24,25,27)/t11-/m0/s1
• InChIKey: VYTZUBVMHGXPDR-NSHDSACASA-N
• XLogP: 3.45
• TPSA: 113.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.92
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide?

The IUPAC name of N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide (CID 24570788) is N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide.

What is the SMILES notation for N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide?

The canonical SMILES for N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)n2)o1.

What is the InChIKey of N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide?

The InChIKey is VYTZUBVMHGXPDR-NSHDSACASA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-11(23-19(28)14-5-3-4-6-15(14)21)18(27)25-20-24-16(10-30-20)17-8-7-13(29-17)9-22-12(2)26/h3-8,10-11H,9H2,1-2H3,(H,22,26)(H,23,28)(H,24,25,27)/t11-/m0/s1.

What are the key properties of N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide?

N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide has a molecular weight of 446.92 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 24570788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).