N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C23H19N5O4S2 — CID 35371249

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 35371249) has the molecular formula C23H19N5O4S2 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• PubChem CID: 35371249
• Molecular Formula: C23H19N5O4S2
• Molecular Weight: 493.57 g/mol
• Exact Mass: 493.09
• IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• SMILES: CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C23H19N5O4S2/c1-28(13-21-24-18-8-4-5-9-20(18)33-21)22(29)15-6-2-3-7-16(15)27-34(31,32)14-10-11-17-19(12-14)26-23(30)25-17/h2-12,27H,13H2,1H3,(H2,25,26,30)
• InChIKey: DHQCIORNFWPCGO-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 128.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.57
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 35371249) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The InChIKey is DHQCIORNFWPCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S2/c1-28(13-21-24-18-8-4-5-9-20(18)33-21)22(29)15-6-2-3-7-16(15)27-34(31,32)14-10-11-17-19(12-14)26-23(30)25-17/h2-12,27H,13H2,1H3,(H2,25,26,30).

What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 493.57 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 35371249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).