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

C20H23N3O3S2 — CID 3472361

IUPACN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)CCc3ccccc3)sc2c1
InChIInChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)16-11-12-17-18(14-16)27-20(21-17)22-19(24)13-10-15-8-6-5-7-9-15/h5-9,11-12,14H,3-4,10,13H2,1-2H3,(H,21,22,24)
InChIKeyINJVFQSKAYKGLB-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.90
Rot. Bonds8

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

N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide (PubChem CID 3472361) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
PubChem CID3472361
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC NameN-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)CCc3ccccc3)sc2c1
InChIInChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)16-11-12-17-18(14-16)27-20(21-17)22-19(24)13-10-15-8-6-5-7-9-15/h5-9,11-12,14H,3-4,10,13H2,1-2H3,(H,21,22,24)
InChIKeyINJVFQSKAYKGLB-UHFFFAOYSA-N
XLogP3.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 694783
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-[[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]sulfamoyl]benzamide
CID 4049160
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide (CID 3472361) is N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide is CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)CCc3ccccc3)sc2c1.
What is the InChIKey of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
The InChIKey is INJVFQSKAYKGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)16-11-12-17-18(14-16)27-20(21-17)22-19(24)13-10-15-8-6-5-7-9-15/h5-9,11-12,14H,3-4,10,13H2,1-2H3,(H,21,22,24).
What are the key properties of N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide has a molecular weight of 417.56 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 3472361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).