N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C27H31ClN4O4S2 — CID 44923019

About N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride

N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44923019) has the molecular formula C27H31ClN4O4S2 and a molecular weight of 575.16 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44923019
• Molecular Formula: C27H31ClN4O4S2
• Molecular Weight: 575.16 g/mol
• Exact Mass: 574.15
• IUPAC Name: N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(OC)cc3s2)cc1.Cl
• InChI: InChI=1S/C27H30N4O4S2.ClH/c1-5-31(21-9-7-6-8-10-21)37(33,34)23-14-11-20(12-15-23)26(32)30(18-17-29(2)3)27-28-24-16-13-22(35-4)19-25(24)36-27;/h6-16,19H,5,17-18H2,1-4H3;1H
• InChIKey: ONBXQBPQNLQBLS-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.16
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44923019) is N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(OC)cc3s2)cc1.Cl.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The InChIKey is ONBXQBPQNLQBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S2.ClH/c1-5-31(21-9-7-6-8-10-21)37(33,34)23-14-11-20(12-15-23)26(32)30(18-17-29(2)3)27-28-24-16-13-22(35-4)19-25(24)36-27;/h6-16,19H,5,17-18H2,1-4H3;1H.

What are the key properties of N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 575.16 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-4-[ethyl(phenyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44923019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).