N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide

C20H23N3O4S2 — CID 4120437

IUPACN-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide
SMILESCCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1
InChIInChI=1S/C20H23N3O4S2/c1-5-23(4)29(25,26)16-10-11-17-18(12-16)28-20(21-17)22-19(24)14-6-8-15(9-7-14)27-13(2)3/h6-13H,5H2,1-4H3,(H,21,22,24)
InChIKeyFEXJUYGLACBORC-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.98
Rot. Bonds7

About N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide

N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 4120437) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide
PubChem CID4120437
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide
SMILESCCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1
InChIInChI=1S/C20H23N3O4S2/c1-5-23(4)29(25,26)16-10-11-17-18(12-16)28-20(21-17)22-19(24)14-6-8-15(9-7-14)27-13(2)3/h6-13H,5H2,1-4H3,(H,21,22,24)
InChIKeyFEXJUYGLACBORC-UHFFFAOYSA-N
XLogP3.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-fluorobenzamide
CID 3594581
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 5215417
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
CID 4681786
4-[butyl(methyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 4132032
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-(dimethylamino)benzamide
CID 3310017
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 833754
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335

Frequently Asked Questions

What is the IUPAC name of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide (CID 4120437) is N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide is CCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1.
What is the InChIKey of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is FEXJUYGLACBORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-5-23(4)29(25,26)16-10-11-17-18(12-16)28-20(21-17)22-19(24)14-6-8-15(9-7-14)27-13(2)3/h6-13H,5H2,1-4H3,(H,21,22,24).
What are the key properties of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide?
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 433.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 4120437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).