3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide

C21H24ClNO5S — CID 19244305

About 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide

3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (PubChem CID 19244305) has the molecular formula C21H24ClNO5S and a molecular weight of 437.95 g/mol. Its IUPAC name is 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
• PubChem CID: 19244305
• Molecular Formula: C21H24ClNO5S
• Molecular Weight: 437.95 g/mol
• Exact Mass: 437.11
• IUPAC Name: 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
• SMILES: COc1ccc(C(=O)N(Cc2ccc(C3CC3C)o2)C2CCS(=O)(=O)C2)cc1Cl
• InChI: InChI=1S/C21H24ClNO5S/c1-13-9-17(13)19-6-4-16(28-19)11-23(15-7-8-29(25,26)12-15)21(24)14-3-5-20(27-2)18(22)10-14/h3-6,10,13,15,17H,7-9,11-12H2,1-2H3
• InChIKey: KKUJIWCXQVKVME-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 76.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.95
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?

The IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (CID 19244305) is 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.

What is the SMILES notation for 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?

The canonical SMILES for 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(C3CC3C)o2)C2CCS(=O)(=O)C2)cc1Cl.

What is the InChIKey of 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?

The InChIKey is KKUJIWCXQVKVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5S/c1-13-9-17(13)19-6-4-16(28-19)11-23(15-7-8-29(25,26)12-15)21(24)14-3-5-20(27-2)18(22)10-14/h3-6,10,13,15,17H,7-9,11-12H2,1-2H3.

What are the key properties of 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?

3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide has a molecular weight of 437.95 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 19244305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).