3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide

C₁₄H₂₁N₃O₄S — CID 119502368

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide (PubChem CID 119502368) has the molecular formula C₁₄H₂₁N₃O₄S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
• PubChem CID: 119502368
• Molecular Formula: C₁₄H₂₁N₃O₄S
• Molecular Weight: 327.41 g/mol
• Exact Mass: 327.13
• IUPAC Name: 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
• SMILES: CNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
• InChI: InChI=1S/C14H21N3O4S/c1-15-7-8-16-14(18)10-3-6-12(21-2)13(9-10)22(19,20)17-11-4-5-11/h3,6,9,11,15,17H,4-5,7-8H2,1-2H3,(H,16,18)
• InChIKey: ZODDGHXINVEKRF-UHFFFAOYSA-N
• XLogP: 0.09
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.41
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?

The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide (CID 119502368) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide.

What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?

The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1.

What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?

The InChIKey is ZODDGHXINVEKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-15-7-8-16-14(18)10-3-6-12(21-2)13(9-10)22(19,20)17-11-4-5-11/h3,6,9,11,15,17H,4-5,7-8H2,1-2H3,(H,16,18).

What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide?

3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 327.41 g/mol, XLogP of 0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 119502368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119502368 — identifiers, structure, computed properties (public domain)

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