N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide

C22H26N4O4S2 — CID 16560001

IUPACN-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C22H26N4O4S2/c1-4-26(22-23-18-7-5-6-8-20(18)31-22)21(27)17-15-16(32(28,29)24(2)3)9-10-19(17)25-11-13-30-14-12-25/h5-10,15H,4,11-14H2,1-3H3
InChIKeyVOQOUMRSCFEYJX-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.05
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide

N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide (PubChem CID 16560001) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide
PubChem CID16560001
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C22H26N4O4S2/c1-4-26(22-23-18-7-5-6-8-20(18)31-22)21(27)17-15-16(32(28,29)24(2)3)9-10-19(17)25-11-13-30-14-12-25/h5-10,15H,4,11-14H2,1-3H3
InChIKeyVOQOUMRSCFEYJX-UHFFFAOYSA-N
XLogP3.05
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide 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

N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
N-(1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899563
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-5-nitrobenzamide
CID 9277496
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302
(E)-N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 16559872
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34189725
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
[(1S)-1-phenylethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883877
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16625939
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide (CID 16560001) is N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide is CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide?
The InChIKey is VOQOUMRSCFEYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-4-26(22-23-18-7-5-6-8-20(18)31-22)21(27)17-15-16(32(28,29)24(2)3)9-10-19(17)25-11-13-30-14-12-25/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide?
N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide has a molecular weight of 474.61 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 16560001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).