4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

C23H21N5O3S2 — CID 110492854

IUPAC4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)cc1
InChIInChI=1S/C23H21N5O3S2/c1-28(2)33(30,31)20-9-3-17(4-10-20)22(29)25-18-5-7-19(8-6-18)26-23-27-21(15-32-23)16-11-13-24-14-12-16/h3-15H,1-2H3,(H,25,29)(H,26,27)
InChIKeyGTKOFGJVRYVBHS-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.45
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (PubChem CID 110492854) has the molecular formula C23H21N5O3S2 and a molecular weight of 479.59 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
PubChem CID110492854
Molecular FormulaC23H21N5O3S2
Molecular Weight479.59 g/mol
Exact Mass479.11
IUPAC Name4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)cc1
InChIInChI=1S/C23H21N5O3S2/c1-28(2)33(30,31)20-9-3-17(4-10-20)22(29)25-18-5-7-19(8-6-18)26-23-27-21(15-32-23)16-11-13-24-14-12-16/h3-15H,1-2H3,(H,25,29)(H,26,27)
InChIKeyGTKOFGJVRYVBHS-UHFFFAOYSA-N
XLogP4.45
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785
3,5-dinitro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492904
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 155312775
N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 58910466
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 5080818

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (CID 110492854) is 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The InChIKey is GTKOFGJVRYVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S2/c1-28(2)33(30,31)20-9-3-17(4-10-20)22(29)25-18-5-7-19(8-6-18)26-23-27-21(15-32-23)16-11-13-24-14-12-16/h3-15H,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide has a molecular weight of 479.59 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 110492854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).