4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C22H19N3O3S3 — CID 5056068

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C22H19N3O3S3/c1-25(14-16-6-3-2-4-7-16)31(27,28)18-11-9-17(10-12-18)21(26)24-22-23-19(15-30-22)20-8-5-13-29-20/h2-13,15H,14H2,1H3,(H,23,24,26)
InChIKeyGZEFFZJNSQTXFY-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.94
Rot. Bonds7

About 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 5056068) has the molecular formula C22H19N3O3S3 and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID5056068
Molecular FormulaC22H19N3O3S3
Molecular Weight469.61 g/mol
Exact Mass469.06
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C22H19N3O3S3/c1-25(14-16-6-3-2-4-7-16)31(27,28)18-11-9-17(10-12-18)21(26)24-22-23-19(15-30-22)20-8-5-13-29-20/h2-13,15H,14H2,1H3,(H,23,24,26)
InChIKeyGZEFFZJNSQTXFY-UHFFFAOYSA-N
XLogP4.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4181220
4-[bis(2-chloroethyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 86809667
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-[benzyl(ethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4155724
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35342187
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41235454
4-[benzyl(methyl)sulfamoyl]-N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 41235456

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 5056068) is 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GZEFFZJNSQTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S3/c1-25(14-16-6-3-2-4-7-16)31(27,28)18-11-9-17(10-12-18)21(26)24-22-23-19(15-30-22)20-8-5-13-29-20/h2-13,15H,14H2,1H3,(H,23,24,26).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 469.61 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5056068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).