N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide

C20H19N3O5S2 — CID 41233085

IUPACN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nc4ccc(S(=O)(=O)N(C)C)cc4s3)oc12
InChIInChI=1S/C20H19N3O5S2/c1-4-27-15-7-5-6-12-10-16(28-18(12)15)19(24)22-20-21-14-9-8-13(11-17(14)29-20)30(25,26)23(2)3/h5-11H,4H2,1-3H3,(H,21,22,24)
InChIKeyGADSAUSBVYUKPX-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.94
Rot. Bonds6

About N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide (PubChem CID 41233085) has the molecular formula C20H19N3O5S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
PubChem CID41233085
Molecular FormulaC20H19N3O5S2
Molecular Weight445.52 g/mol
Exact Mass445.08
IUPAC NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nc4ccc(S(=O)(=O)N(C)C)cc4s3)oc12
InChIInChI=1S/C20H19N3O5S2/c1-4-27-15-7-5-6-12-10-16(28-18(12)15)19(24)22-20-21-14-9-8-13(11-17(14)29-20)30(25,26)23(2)3/h5-11H,4H2,1-3H3,(H,21,22,24)
InChIKeyGADSAUSBVYUKPX-UHFFFAOYSA-N
XLogP3.94
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888296
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140
7-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888287
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
7-ethoxy-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43975240
2-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butanamide
CID 5061232
5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 20932194

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide (CID 41233085) is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)Nc3nc4ccc(S(=O)(=O)N(C)C)cc4s3)oc12.
What is the InChIKey of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
The InChIKey is GADSAUSBVYUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S2/c1-4-27-15-7-5-6-12-10-16(28-18(12)15)19(24)22-20-21-14-9-8-13(11-17(14)29-20)30(25,26)23(2)3/h5-11H,4H2,1-3H3,(H,21,22,24).
What are the key properties of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41233085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).