3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C20H21N3O3S2 — CID 1275885

IUPAC3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C20H21N3O3S2/c1-3-23(4-2)28(25,26)17-12-8-11-16(13-17)19(24)22-20-21-18(14-27-20)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,21,22,24)
InChIKeyFZOKOCGLPQGPFI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.09
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1275885) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID1275885
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C20H21N3O3S2/c1-3-23(4-2)28(25,26)17-12-8-11-16(13-17)19(24)22-20-21-18(14-27-20)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,21,22,24)
InChIKeyFZOKOCGLPQGPFI-UHFFFAOYSA-N
XLogP4.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate
CID 2361840
3-(dipropylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 41163778
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16799635
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4129034

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 1275885) is 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FZOKOCGLPQGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-3-23(4-2)28(25,26)17-12-8-11-16(13-17)19(24)22-20-21-18(14-27-20)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,21,22,24).
What are the key properties of 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1275885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).