4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide

C22H29N3O4S2 — CID 3357772

IUPAC4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C22H29N3O4S2/c1-5-7-12-25(6-2)31(28,29)16-10-8-15(9-11-16)20(27)24-21-23-17-13-22(3,4)14-18(26)19(17)30-21/h8-11H,5-7,12-14H2,1-4H3,(H,23,24,27)
InChIKeyWVSBORWZPJLDHE-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.36
Rot. Bonds8

About 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide

4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3357772) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID3357772
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C22H29N3O4S2/c1-5-7-12-25(6-2)31(28,29)16-10-8-15(9-11-16)20(27)24-21-23-17-13-22(3,4)14-18(26)19(17)30-21/h8-11H,5-7,12-14H2,1-4H3,(H,23,24,27)
InChIKeyWVSBORWZPJLDHE-UHFFFAOYSA-N
XLogP4.36
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 26841074
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4119592
4-[butyl(ethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4172039
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145751
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4058144
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7266998
tert-butyl N-[4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate
CID 55732039
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-ethylpyrazole-3-carboxamide
CID 42138533
4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2473350
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587211
ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5079660

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide (CID 3357772) is 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WVSBORWZPJLDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-5-7-12-25(6-2)31(28,29)16-10-8-15(9-11-16)20(27)24-21-23-17-13-22(3,4)14-18(26)19(17)30-21/h8-11H,5-7,12-14H2,1-4H3,(H,23,24,27).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 463.63 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3357772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).