N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide

C19H21N3O4S2 — CID 1298220

IUPACN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3OC)sc2c1
InChIInChI=1S/C19H21N3O4S2/c1-4-22(5-2)28(24,25)13-10-11-15-17(12-13)27-19(20-15)21-18(23)14-8-6-7-9-16(14)26-3/h6-12H,4-5H2,1-3H3,(H,20,21,23)
InChIKeyQQIWELGWVPZFRN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.59
Rot. Bonds7

About N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide

N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide (PubChem CID 1298220) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
PubChem CID1298220
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3OC)sc2c1
InChIInChI=1S/C19H21N3O4S2/c1-4-22(5-2)28(24,25)13-10-11-15-17(12-13)27-19(20-15)21-18(23)14-8-6-7-9-16(14)26-3/h6-12H,4-5H2,1-3H3,(H,20,21,23)
InChIKeyQQIWELGWVPZFRN-UHFFFAOYSA-N
XLogP3.59
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide (CID 1298220) is N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide is CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3OC)sc2c1.
What is the InChIKey of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
The InChIKey is QQIWELGWVPZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-4-22(5-2)28(24,25)13-10-11-15-17(12-13)27-19(20-15)21-18(23)14-8-6-7-9-16(14)26-3/h6-12H,4-5H2,1-3H3,(H,20,21,23).
What are the key properties of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide has a molecular weight of 419.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 1298220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).