3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide

C21H25N3O5S2 — CID 26251702

IUPAC3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(CC)CC)c3)sc2c1
InChIInChI=1S/C21H25N3O5S2/c1-5-24(6-2)31(26,27)19-12-14(8-11-17(19)28-4)20(25)23-21-22-16-10-9-15(29-7-3)13-18(16)30-21/h8-13H,5-7H2,1-4H3,(H,22,23,25)
InChIKeyAFVDSFWSVIRVPX-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.99
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide

3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide (PubChem CID 26251702) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
PubChem CID26251702
Molecular FormulaC21H25N3O5S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC Name3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(CC)CC)c3)sc2c1
InChIInChI=1S/C21H25N3O5S2/c1-5-24(6-2)31(26,27)19-12-14(8-11-17(19)28-4)20(25)23-21-22-16-10-9-15(29-7-3)13-18(16)30-21/h8-13H,5-7H2,1-4H3,(H,22,23,25)
InChIKeyAFVDSFWSVIRVPX-UHFFFAOYSA-N
XLogP3.99
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 26251712
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27675707
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide (CID 26251702) is 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide is CCOc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(CC)CC)c3)sc2c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The InChIKey is AFVDSFWSVIRVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-5-24(6-2)31(26,27)19-12-14(8-11-17(19)28-4)20(25)23-21-22-16-10-9-15(29-7-3)13-18(16)30-21/h8-13H,5-7H2,1-4H3,(H,22,23,25).
What are the key properties of 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide has a molecular weight of 463.58 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 26251702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).