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

C16H17N3O4S2 — CID 2138866

IUPACN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C16H17N3O4S2/c1-3-19(4-2)25(21,22)11-7-8-12-14(10-11)24-16(17-12)18-15(20)13-6-5-9-23-13/h5-10H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyXUYGJUACHUHFDM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.17
Rot. Bonds6

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

N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 2138866) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide
PubChem CID2138866
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC NameN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C16H17N3O4S2/c1-3-19(4-2)25(21,22)11-7-8-12-14(10-11)24-16(17-12)18-15(20)13-6-5-9-23-13/h5-10H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyXUYGJUACHUHFDM-UHFFFAOYSA-N
XLogP3.17
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.17
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]furan-2-carboxamide?
The IUPAC name of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 2138866) is N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The InChIKey is XUYGJUACHUHFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-3-19(4-2)25(21,22)11-7-8-12-14(10-11)24-16(17-12)18-15(20)13-6-5-9-23-13/h5-10H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide?
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.17, 6 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]furan-2-carboxamide is sourced from PubChem (CID 2138866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).