4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

C17H16ClN3O4S2 — CID 154837176

About 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (PubChem CID 154837176) has the molecular formula C17H16ClN3O4S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
• PubChem CID: 154837176
• Molecular Formula: C17H16ClN3O4S2
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.03
• IUPAC Name: 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
• SMILES: Cc1cnc(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)o1
• InChI: InChI=1S/C17H16ClN3O4S2/c1-10-9-19-17(25-10)11(2)20-16(22)12-3-5-13(6-4-12)21-27(23,24)15-8-7-14(18)26-15/h3-9,11,21H,1-2H3,(H,20,22)
• InChIKey: XQCYDLXLYDEZPI-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 101.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?

The IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (CID 154837176) is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?

The canonical SMILES for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)o1.

What is the InChIKey of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?

The InChIKey is XQCYDLXLYDEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S2/c1-10-9-19-17(25-10)11(2)20-16(22)12-3-5-13(6-4-12)21-27(23,24)15-8-7-14(18)26-15/h3-9,11,21H,1-2H3,(H,20,22).

What are the key properties of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?

4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide has a molecular weight of 425.92 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 154837176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).