N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide

C20H18N4O5S2 — CID 46325719

About N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide

N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46325719) has the molecular formula C20H18N4O5S2 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
• PubChem CID: 46325719
• Molecular Formula: C20H18N4O5S2
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.07
• IUPAC Name: N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
• SMILES: COc1cc(NS(=O)(=O)c2c(C)noc2C)cc2sc(NC(=O)c3ccccc3)nc12
• InChI: InChI=1S/C20H18N4O5S2/c1-11-18(12(2)29-23-11)31(26,27)24-14-9-15(28-3)17-16(10-14)30-20(21-17)22-19(25)13-7-5-4-6-8-13/h4-10,24H,1-3H3,(H,21,22,25)
• InChIKey: KYCVLSAAYNXWHL-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 123.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?

The IUPAC name of N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide (CID 46325719) is N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide.

What is the SMILES notation for N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?

The canonical SMILES for N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide is COc1cc(NS(=O)(=O)c2c(C)noc2C)cc2sc(NC(=O)c3ccccc3)nc12.

What is the InChIKey of N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?

The InChIKey is KYCVLSAAYNXWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S2/c1-11-18(12(2)29-23-11)31(26,27)24-14-9-15(28-3)17-16(10-14)30-20(21-17)22-19(25)13-7-5-4-6-8-13/h4-10,24H,1-3H3,(H,21,22,25).

What are the key properties of N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?

N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 458.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46325719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).