N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide

C17H17ClN4O3S2 — CID 43987293

About N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide

N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43987293) has the molecular formula C17H17ClN4O3S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 43987293
• Molecular Formula: C17H17ClN4O3S2
• Molecular Weight: 424.94 g/mol
• Exact Mass: 424.04
• IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: CN(CC(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1)S(C)(=O)=O
• InChI: InChI=1S/C17H17ClN4O3S2/c1-21(27(2,24)25)11-15(23)22(10-12-6-3-4-9-19-12)17-20-16-13(18)7-5-8-14(16)26-17/h3-9H,10-11H2,1-2H3
• InChIKey: GDKPBUROMYLWEN-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 83.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.94
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide (CID 43987293) is N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide is CN(CC(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1)S(C)(=O)=O.

What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is GDKPBUROMYLWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S2/c1-21(27(2,24)25)11-15(23)22(10-12-6-3-4-9-19-12)17-20-16-13(18)7-5-8-14(16)26-17/h3-9H,10-11H2,1-2H3.

What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?

N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 424.94 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43987293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).