2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide

C19H21N3O5S2 — CID 100531007

About 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide

2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 100531007) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide
• PubChem CID: 100531007
• Molecular Formula: C19H21N3O5S2
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.09
• IUPAC Name: 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide
• SMILES: COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C(=O)NC(C)C
• InChI: InChI=1S/C19H21N3O5S2/c1-11(2)20-18(23)14-10-13(6-8-16(14)27-4)29(25,26)21-12-5-7-15-17(9-12)28-19(24)22(15)3/h5-11,21H,1-4H3,(H,20,23)
• InChIKey: LDUOUHMIWQEWNS-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 106.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide?

The IUPAC name of 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide (CID 100531007) is 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide?

The canonical SMILES for 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C(=O)NC(C)C.

What is the InChIKey of 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide?

The InChIKey is LDUOUHMIWQEWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-11(2)20-18(23)14-10-13(6-8-16(14)27-4)29(25,26)21-12-5-7-15-17(9-12)28-19(24)22(15)3/h5-11,21H,1-4H3,(H,20,23).

What are the key properties of 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide?

2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 435.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 100531007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).