N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C26H25N3O5S2 — CID 16551488

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)n2)c1
InChIInChI=1S/C26H25N3O5S2/c1-17-5-12-21(13-6-17)36(31,32)29(2)19-9-7-18(8-10-19)25(30)28-26-27-23(16-35-26)22-15-20(33-3)11-14-24(22)34-4/h5-16H,1-4H3,(H,27,28,30)
InChIKeySVZJEBZTCQPGET-UHFFFAOYSA-N
MW523.64 g/mol
LogP5.21
Rot. Bonds8

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 16551488) has the molecular formula C26H25N3O5S2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID16551488
Molecular FormulaC26H25N3O5S2
Molecular Weight523.64 g/mol
Exact Mass523.12
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)n2)c1
InChIInChI=1S/C26H25N3O5S2/c1-17-5-12-21(13-6-17)36(31,32)29(2)19-9-7-18(8-10-19)25(30)28-26-27-23(16-35-26)22-15-20(33-3)11-14-24(22)34-4/h5-16H,1-4H3,(H,27,28,30)
InChIKeySVZJEBZTCQPGET-UHFFFAOYSA-N
XLogP5.21
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
CID 16804295
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 4517155
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042376
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4188572
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3574623

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 16551488) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is SVZJEBZTCQPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S2/c1-17-5-12-21(13-6-17)36(31,32)29(2)19-9-7-18(8-10-19)25(30)28-26-27-23(16-35-26)22-15-20(33-3)11-14-24(22)34-4/h5-16H,1-4H3,(H,27,28,30).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 523.64 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 16551488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).