4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide

C24H21N3O5S2 — CID 41235460

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C24H21N3O5S2/c1-2-27(14-16-6-4-3-5-7-16)34(29,30)18-10-8-17(9-11-18)23(28)26-24-25-19-12-20-21(32-15-31-20)13-22(19)33-24/h3-13H,2,14-15H2,1H3,(H,25,26,28)
InChIKeyOIORFQATXQPFSS-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.49
Rot. Bonds7

About 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide (PubChem CID 41235460) has the molecular formula C24H21N3O5S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
PubChem CID41235460
Molecular FormulaC24H21N3O5S2
Molecular Weight495.58 g/mol
Exact Mass495.09
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C24H21N3O5S2/c1-2-27(14-16-6-4-3-5-7-16)34(29,30)18-10-8-17(9-11-18)23(28)26-24-25-19-12-20-21(32-15-31-20)13-22(19)33-24/h3-13H,2,14-15H2,1H3,(H,25,26,28)
InChIKeyOIORFQATXQPFSS-UHFFFAOYSA-N
XLogP4.49
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497
4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4583357
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
CID 41235498
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148959
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41235325
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
4-[benzyl(ethyl)sulfamoyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966209
4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 18558934

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide (CID 41235460) is 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide?
The InChIKey is OIORFQATXQPFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S2/c1-2-27(14-16-6-4-3-5-7-16)34(29,30)18-10-8-17(9-11-18)23(28)26-24-25-19-12-20-21(32-15-31-20)13-22(19)33-24/h3-13H,2,14-15H2,1H3,(H,25,26,28).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide has a molecular weight of 495.58 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide is sourced from PubChem (CID 41235460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).