4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide

C19H20N4O4S2 — CID 17193090

About 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide

4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17193090) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
• PubChem CID: 17193090
• Molecular Formula: C19H20N4O4S2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.09
• IUPAC Name: 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)s2)cc1
• InChI: InChI=1S/C19H20N4O4S2/c1-13-3-9-16(10-4-13)29(25,26)20-12-11-17-22-23-19(28-17)21-18(24)14-5-7-15(27-2)8-6-14/h3-10,20H,11-12H2,1-2H3,(H,21,23,24)
• InChIKey: FGZBEXZQAXHIES-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

The IUPAC name of 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 17193090) is 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide.

What is the SMILES notation for 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)s2)cc1.

What is the InChIKey of 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

The InChIKey is FGZBEXZQAXHIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13-3-9-16(10-4-13)29(25,26)20-12-11-17-22-23-19(28-17)21-18(24)14-5-7-15(27-2)8-6-14/h3-10,20H,11-12H2,1-2H3,(H,21,23,24).

What are the key properties of 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 432.53 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17193090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).