2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C15H14BrN3O4S3 — CID 22430630

About 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 22430630) has the molecular formula C15H14BrN3O4S3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 22430630
• Molecular Formula: C15H14BrN3O4S3
• Molecular Weight: 476.40 g/mol
• Exact Mass: 474.93
• IUPAC Name: 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
• SMILES: COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)s3)sc2c1
• InChI: InChI=1S/C15H14BrN3O4S3/c1-19(26(21,22)14-6-5-12(16)25-14)8-13(20)18-15-17-10-4-3-9(23-2)7-11(10)24-15/h3-7H,8H2,1-2H3,(H,17,18,20)
• InChIKey: HPXIRHQIVJVCLG-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.40
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 22430630) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)s3)sc2c1.

What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is HPXIRHQIVJVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O4S3/c1-19(26(21,22)14-6-5-12(16)25-14)8-13(20)18-15-17-10-4-3-9(23-2)7-11(10)24-15/h3-7H,8H2,1-2H3,(H,17,18,20).

What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 476.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 22430630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).