N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

C25H23N3O3S2 — CID 55705974

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O3S2/c1-17-13-14-20(16-22(17)28-33(30,31)21-11-7-4-8-12-21)27-25(29)24-18(2)26-23(32-24)15-19-9-5-3-6-10-19/h3-14,16,28H,15H2,1-2H3,(H,27,29)
InChIKeyWYQIQIBGJQLYAN-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.40
Rot. Bonds7

About N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55705974) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55705974
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O3S2/c1-17-13-14-20(16-22(17)28-33(30,31)21-11-7-4-8-12-21)27-25(29)24-18(2)26-23(32-24)15-19-9-5-3-6-10-19/h3-14,16,28H,15H2,1-2H3,(H,27,29)
InChIKeyWYQIQIBGJQLYAN-UHFFFAOYSA-N
XLogP5.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 38304433
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55705154
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 91641589
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (CID 55705974) is N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WYQIQIBGJQLYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c1-17-13-14-20(16-22(17)28-33(30,31)21-11-7-4-8-12-21)27-25(29)24-18(2)26-23(32-24)15-19-9-5-3-6-10-19/h3-14,16,28H,15H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55705974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).